data_26724 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26724 _Entry.Title ; NMR chemical shift assignments for the C-terminal domain of Tetrahymena Tcb2 in the presence of calcium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-28 _Entry.Accession_date 2015-12-28 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Adina Kilpatrick . M. . . 26724 2 Theodore Gurrola . . . . 26724 3 'C. Andrew' Fowler . . . . 26724 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Drake University' . 26724 2 . 'University of Iowa Carver College of Medicine NMR facility' . 26724 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26724 heteronucl_NOEs 1 26724 heteronucl_T1_relaxation 1 26724 heteronucl_T2_relaxation 1 26724 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 457 26724 '15N chemical shifts' 106 26724 '1H chemical shifts' 679 26724 'T1 relaxation values' 90 26724 'T2 relaxation values' 90 26724 'heteronuclear NOE values' 93 26724 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-08 2015-12-28 update author 'update entry citation' 26724 1 . . 2016-07-14 2015-12-28 original author 'original release' 26724 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26723 'C-terminal domain of Tetrahymena Tcb2 in the absence of calcium' 26724 NCBI P09226.2 '25 kDa calcium-binding protein TCBP-25' 26724 NCBI XP_001007754.3 '25 kDa calcium-binding protein [Tetrahymena thermophilia SB210]' 26724 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26724 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-016-9684-9 _Citation.PubMed_ID 27155947 _Citation.Full_citation . _Citation.Title ; Backbone and side-chain chemical shift assignments for the C-terminal domain of Tcb2, a cytoskeletal calcium-binding protein from Tetrahymena thermophila ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Adina Kilpatrick . M. . . 26724 1 2 Theodore Gurrola . . . . 26724 1 3 Robert Sterner . C. . . 26724 1 4 Heidi Sleister . M. . . 26724 1 5 Jerry Honts . E. . . 26724 1 6 'C. Andrew' Fowler . . . . 26724 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Tetrahymena 26724 1 'calcium-binding protein' 26724 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 26724 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/prot.25111 _Citation.PubMed_ID 27155947 _Citation.Full_citation . _Citation.Title ; Solution NMR Structures of the C-domain of Tetrahymena Cytoskeletal Protein Tcb2 Reveal Distinct Calcium-Induced Structural Rearrangements ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Adina Kilpatrick . M. . . 26724 2 2 Jerry Honts . E. . . 26724 2 3 Heidi Sleister . M. . . 26724 2 4 'C. Andrew' Fowler . . . . 26724 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Tetrahymena 26724 2 'calcium-binding protein' 26724 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26724 _Assembly.ID 1 _Assembly.Name Tcb2-C _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11563 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tcb2-C 1 $Tcb2-C A . yes native no no . protein . 26724 1 2 'CALCIUM ION_1' 2 $entity_CA A . no native no no . 'bound metal ion' . 26724 1 3 'CALCIUM ION_2' 2 $entity_CA A . no native no no . 'bound metal ion' . 26724 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes 'Tetrahymena Genome Database Wiki' TTHERM_00068170 . . . . . . 26724 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Calcium-binding protein' 26724 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tcb2-C _Entity.Sf_category entity _Entity.Sf_framecode Tcb2-C _Entity.Entry_ID 26724 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tcb2-C _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SSKPKYNPEVEAKLDVARRL FKRYDKDGSGQLQDDEIAGL LKDTYAEMGMSNFTPTKEDV KIWLQMADTNSDGSVSLEEY EDLIIKSLQKAGIRVEKQSL VF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'C-terminal domain of Tetrahymena calcium-binding protein 2 (Tcb2)' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI P09226.2 . '25 kDa calcium-binding protein, TCBP-25' . . . . . . . . . . . . . . 26724 1 2 yes NCBI XP_001007754.3 . '25 kDa calcium-binding protein [Tetrahymena thermophila SB210]' . . . . . . . . . . . . . . 26724 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 117 SER . 26724 1 2 118 SER . 26724 1 3 119 LYS . 26724 1 4 120 PRO . 26724 1 5 121 LYS . 26724 1 6 122 TYR . 26724 1 7 123 ASN . 26724 1 8 124 PRO . 26724 1 9 125 GLU . 26724 1 10 126 VAL . 26724 1 11 127 GLU . 26724 1 12 128 ALA . 26724 1 13 129 LYS . 26724 1 14 130 LEU . 26724 1 15 131 ASP . 26724 1 16 132 VAL . 26724 1 17 133 ALA . 26724 1 18 134 ARG . 26724 1 19 135 ARG . 26724 1 20 136 LEU . 26724 1 21 137 PHE . 26724 1 22 138 LYS . 26724 1 23 139 ARG . 26724 1 24 140 TYR . 26724 1 25 141 ASP . 26724 1 26 142 LYS . 26724 1 27 143 ASP . 26724 1 28 144 GLY . 26724 1 29 145 SER . 26724 1 30 146 GLY . 26724 1 31 147 GLN . 26724 1 32 148 LEU . 26724 1 33 149 GLN . 26724 1 34 150 ASP . 26724 1 35 151 ASP . 26724 1 36 152 GLU . 26724 1 37 153 ILE . 26724 1 38 154 ALA . 26724 1 39 155 GLY . 26724 1 40 156 LEU . 26724 1 41 157 LEU . 26724 1 42 158 LYS . 26724 1 43 159 ASP . 26724 1 44 160 THR . 26724 1 45 161 TYR . 26724 1 46 162 ALA . 26724 1 47 163 GLU . 26724 1 48 164 MET . 26724 1 49 165 GLY . 26724 1 50 166 MET . 26724 1 51 167 SER . 26724 1 52 168 ASN . 26724 1 53 169 PHE . 26724 1 54 170 THR . 26724 1 55 171 PRO . 26724 1 56 172 THR . 26724 1 57 173 LYS . 26724 1 58 174 GLU . 26724 1 59 175 ASP . 26724 1 60 176 VAL . 26724 1 61 177 LYS . 26724 1 62 178 ILE . 26724 1 63 179 TRP . 26724 1 64 180 LEU . 26724 1 65 181 GLN . 26724 1 66 182 MET . 26724 1 67 183 ALA . 26724 1 68 184 ASP . 26724 1 69 185 THR . 26724 1 70 186 ASN . 26724 1 71 187 SER . 26724 1 72 188 ASP . 26724 1 73 189 GLY . 26724 1 74 190 SER . 26724 1 75 191 VAL . 26724 1 76 192 SER . 26724 1 77 193 LEU . 26724 1 78 194 GLU . 26724 1 79 195 GLU . 26724 1 80 196 TYR . 26724 1 81 197 GLU . 26724 1 82 198 ASP . 26724 1 83 199 LEU . 26724 1 84 200 ILE . 26724 1 85 201 ILE . 26724 1 86 202 LYS . 26724 1 87 203 SER . 26724 1 88 204 LEU . 26724 1 89 205 GLN . 26724 1 90 206 LYS . 26724 1 91 207 ALA . 26724 1 92 208 GLY . 26724 1 93 209 ILE . 26724 1 94 210 ARG . 26724 1 95 211 VAL . 26724 1 96 212 GLU . 26724 1 97 213 LYS . 26724 1 98 214 GLN . 26724 1 99 215 SER . 26724 1 100 216 LEU . 26724 1 101 217 VAL . 26724 1 102 218 PHE . 26724 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 26724 1 . SER 2 2 26724 1 . LYS 3 3 26724 1 . PRO 4 4 26724 1 . LYS 5 5 26724 1 . TYR 6 6 26724 1 . ASN 7 7 26724 1 . PRO 8 8 26724 1 . GLU 9 9 26724 1 . VAL 10 10 26724 1 . GLU 11 11 26724 1 . ALA 12 12 26724 1 . LYS 13 13 26724 1 . LEU 14 14 26724 1 . ASP 15 15 26724 1 . VAL 16 16 26724 1 . ALA 17 17 26724 1 . ARG 18 18 26724 1 . ARG 19 19 26724 1 . LEU 20 20 26724 1 . PHE 21 21 26724 1 . LYS 22 22 26724 1 . ARG 23 23 26724 1 . TYR 24 24 26724 1 . ASP 25 25 26724 1 . LYS 26 26 26724 1 . ASP 27 27 26724 1 . GLY 28 28 26724 1 . SER 29 29 26724 1 . GLY 30 30 26724 1 . GLN 31 31 26724 1 . LEU 32 32 26724 1 . GLN 33 33 26724 1 . ASP 34 34 26724 1 . ASP 35 35 26724 1 . GLU 36 36 26724 1 . ILE 37 37 26724 1 . ALA 38 38 26724 1 . GLY 39 39 26724 1 . LEU 40 40 26724 1 . LEU 41 41 26724 1 . LYS 42 42 26724 1 . ASP 43 43 26724 1 . THR 44 44 26724 1 . TYR 45 45 26724 1 . ALA 46 46 26724 1 . GLU 47 47 26724 1 . MET 48 48 26724 1 . GLY 49 49 26724 1 . MET 50 50 26724 1 . SER 51 51 26724 1 . ASN 52 52 26724 1 . PHE 53 53 26724 1 . THR 54 54 26724 1 . PRO 55 55 26724 1 . THR 56 56 26724 1 . LYS 57 57 26724 1 . GLU 58 58 26724 1 . ASP 59 59 26724 1 . VAL 60 60 26724 1 . LYS 61 61 26724 1 . ILE 62 62 26724 1 . TRP 63 63 26724 1 . LEU 64 64 26724 1 . GLN 65 65 26724 1 . MET 66 66 26724 1 . ALA 67 67 26724 1 . ASP 68 68 26724 1 . THR 69 69 26724 1 . ASN 70 70 26724 1 . SER 71 71 26724 1 . ASP 72 72 26724 1 . GLY 73 73 26724 1 . SER 74 74 26724 1 . VAL 75 75 26724 1 . SER 76 76 26724 1 . LEU 77 77 26724 1 . GLU 78 78 26724 1 . GLU 79 79 26724 1 . TYR 80 80 26724 1 . GLU 81 81 26724 1 . ASP 82 82 26724 1 . LEU 83 83 26724 1 . ILE 84 84 26724 1 . ILE 85 85 26724 1 . LYS 86 86 26724 1 . SER 87 87 26724 1 . LEU 88 88 26724 1 . GLN 89 89 26724 1 . LYS 90 90 26724 1 . ALA 91 91 26724 1 . GLY 92 92 26724 1 . ILE 93 93 26724 1 . ARG 94 94 26724 1 . VAL 95 95 26724 1 . GLU 96 96 26724 1 . LYS 97 97 26724 1 . GLN 98 98 26724 1 . SER 99 99 26724 1 . LEU 100 100 26724 1 . VAL 101 101 26724 1 . PHE 102 102 26724 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 26724 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 26724 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 26724 2 CA 'Three letter code' 26724 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 26724 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26724 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Tcb2-C . 5911 organism . 'Tetrahymena thermophila' 'Tetrahymena thermophila' . . Eukaryota . Tetrahymena thermophila . . . . . . . . . . . . . 26724 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26724 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Tcb2-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'pJ411: T7 promoter, inducible' . . . 26724 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 26724 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 26724 CA InChI=1S/Ca/q+2 InChI InChI 1.03 26724 CA [Ca++] SMILES CACTVS 3.341 26724 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 26724 CA [Ca+2] SMILES ACDLabs 10.04 26724 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 26724 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26724 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 26724 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26724 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26724 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26724 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tcb2-C '[U-98% 13C; U-98% 15N]' . . 1 $Tcb2-C . . 0.75 0.7 0.8 mM . . . . 26724 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 26724 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26724 1 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 1 5 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 26724 1 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26724 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tcb2-C '[U-98% 13C; U-98% 15N]' . . 1 $Tcb2-C . . 0.75 0.7 0.8 mM . . . . 26724 2 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 26724 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26724 2 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 2 5 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 26724 2 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26724 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tcb2-C '[U-98% 15N]' . . 1 $Tcb2-C . . 0.75 0.7 0.8 mM . . . . 26724 3 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 26724 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26724 3 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 3 5 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 26724 3 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 26724 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tcb2-C 'natural abundance' . . 1 $Tcb2-C . . 1.1 1 1.2 mM . . . . 26724 4 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 26724 4 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26724 4 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 4 5 EGTA 'natural abundance' . . . . . . 1 . . mM . . . . 26724 4 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26724 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26724 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 26724 1 pH 7.5 . pH 26724 1 pressure 1 . atm 26724 1 temperature 298 . K 26724 1 stop_ save_ ############################ # Computer software used # ############################ save_CccpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CccpNmr_Analysis _Software.Entry_ID 26724 _Software.ID 1 _Software.Name CccpNmr_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26724 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26724 1 'data analysis' 26724 1 'peak picking' 26724 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26724 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26724 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26724 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26724 _Software.ID 3 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26724 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26724 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26724 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26724 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 26724 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26724 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 6 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 8 '3D HACACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 9 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 10 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 13 '2D 1H-1H COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 16 'Heteronuclear NOE ratio' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 17 'T1 experiments' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 18 'T2 experiments' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26724 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26724 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.25144953 . . . . . 26724 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 26724 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 26724 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26724 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26724 1 2 '3D HNCACB' . . . 26724 1 3 '3D CBCA(CO)NH' . . . 26724 1 4 '3D HNCO' . . . 26724 1 5 '3D H(CCO)NH' . . . 26724 1 6 '2D 1H-13C HMQC' . . . 26724 1 7 '3D HCCH-TOCSY' . . . 26724 1 8 '3D HACACO' . . . 26724 1 9 '2D (HB)CB(CGCD)HD' . . . 26724 1 10 '2D (HB)CB(CGCDCE)HE' . . . 26724 1 11 '3D 1H-13C NOESY' . . . 26724 1 12 '3D 1H-15N NOESY' . . . 26724 1 13 '2D 1H-1H COSY' . . . 26724 1 14 '2D 1H-1H TOCSY' . . . 26724 1 15 '2D 1H-1H NOESY' . . . 26724 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.525 0.003 . 1 . . . . 118 SER HA . 26724 1 2 . 1 1 2 2 SER HB2 H 1 3.845 0.002 . 1 . . . . 118 SER HB2 . 26724 1 3 . 1 1 2 2 SER C C 13 173.753 0.022 . 1 . . . . 118 SER C . 26724 1 4 . 1 1 2 2 SER CA C 13 58.096 0.016 . 1 . . . . 118 SER CA . 26724 1 5 . 1 1 2 2 SER CB C 13 63.705 0.069 . 1 . . . . 118 SER CB . 26724 1 6 . 1 1 3 3 LYS H H 1 8.366 0.001 . 1 . . . . 119 LYS H . 26724 1 7 . 1 1 3 3 LYS HA H 1 4.593 0.002 . 1 . . . . 119 LYS HA . 26724 1 8 . 1 1 3 3 LYS HB2 H 1 1.810 0.004 . 2 . . . . 119 LYS HB2 . 26724 1 9 . 1 1 3 3 LYS HB3 H 1 1.690 0.005 . 2 . . . . 119 LYS HB3 . 26724 1 10 . 1 1 3 3 LYS HG2 H 1 1.476 0.004 . 1 . . . . 119 LYS HG2 . 26724 1 11 . 1 1 3 3 LYS HD2 H 1 1.700 0.001 . 1 . . . . 119 LYS HD2 . 26724 1 12 . 1 1 3 3 LYS HE2 H 1 2.994 0.001 . 1 . . . . 119 LYS HE2 . 26724 1 13 . 1 1 3 3 LYS C C 13 174.270 0.000 . 1 . . . . 119 LYS C . 26724 1 14 . 1 1 3 3 LYS CA C 13 54.199 0.032 . 1 . . . . 119 LYS CA . 26724 1 15 . 1 1 3 3 LYS CB C 13 32.443 0.058 . 1 . . . . 119 LYS CB . 26724 1 16 . 1 1 3 3 LYS CG C 13 24.559 0.041 . 1 . . . . 119 LYS CG . 26724 1 17 . 1 1 3 3 LYS CD C 13 29.041 0.006 . 1 . . . . 119 LYS CD . 26724 1 18 . 1 1 3 3 LYS CE C 13 41.912 0.012 . 1 . . . . 119 LYS CE . 26724 1 19 . 1 1 3 3 LYS N N 15 124.478 0.004 . 1 . . . . 119 LYS N . 26724 1 20 . 1 1 4 4 PRO HA H 1 4.310 0.003 . 1 . . . . 120 PRO HA . 26724 1 21 . 1 1 4 4 PRO HB2 H 1 2.083 0.010 . 2 . . . . 120 PRO HB2 . 26724 1 22 . 1 1 4 4 PRO HB3 H 1 1.629 0.013 . 2 . . . . 120 PRO HB3 . 26724 1 23 . 1 1 4 4 PRO HG2 H 1 1.941 0.002 . 1 . . . . 120 PRO HG2 . 26724 1 24 . 1 1 4 4 PRO HD2 H 1 3.792 0.003 . 2 . . . . 120 PRO HD2 . 26724 1 25 . 1 1 4 4 PRO HD3 H 1 3.616 0.004 . 2 . . . . 120 PRO HD3 . 26724 1 26 . 1 1 4 4 PRO C C 13 175.600 0.014 . 1 . . . . 120 PRO C . 26724 1 27 . 1 1 4 4 PRO CA C 13 62.909 0.019 . 1 . . . . 120 PRO CA . 26724 1 28 . 1 1 4 4 PRO CB C 13 32.263 0.047 . 1 . . . . 120 PRO CB . 26724 1 29 . 1 1 4 4 PRO CG C 13 27.306 0.046 . 1 . . . . 120 PRO CG . 26724 1 30 . 1 1 4 4 PRO CD C 13 50.635 0.025 . 1 . . . . 120 PRO CD . 26724 1 31 . 1 1 5 5 LYS H H 1 8.217 0.001 . 1 . . . . 121 LYS H . 26724 1 32 . 1 1 5 5 LYS HA H 1 4.262 0.003 . 1 . . . . 121 LYS HA . 26724 1 33 . 1 1 5 5 LYS HB2 H 1 1.614 0.009 . 2 . . . . 121 LYS HB2 . 26724 1 34 . 1 1 5 5 LYS HB3 H 1 1.541 0.005 . 2 . . . . 121 LYS HB3 . 26724 1 35 . 1 1 5 5 LYS HG2 H 1 1.363 0.004 . 2 . . . . 121 LYS HG2 . 26724 1 36 . 1 1 5 5 LYS HG3 H 1 1.291 0.001 . 2 . . . . 121 LYS HG3 . 26724 1 37 . 1 1 5 5 LYS HD2 H 1 1.618 0.003 . 1 . . . . 121 LYS HD2 . 26724 1 38 . 1 1 5 5 LYS HE2 H 1 2.949 0.002 . 1 . . . . 121 LYS HE2 . 26724 1 39 . 1 1 5 5 LYS C C 13 175.975 0.057 . 1 . . . . 121 LYS C . 26724 1 40 . 1 1 5 5 LYS CA C 13 55.614 0.072 . 1 . . . . 121 LYS CA . 26724 1 41 . 1 1 5 5 LYS CB C 13 34.281 0.053 . 1 . . . . 121 LYS CB . 26724 1 42 . 1 1 5 5 LYS CG C 13 25.057 0.099 . 1 . . . . 121 LYS CG . 26724 1 43 . 1 1 5 5 LYS CD C 13 29.053 0.051 . 1 . . . . 121 LYS CD . 26724 1 44 . 1 1 5 5 LYS CE C 13 41.888 0.048 . 1 . . . . 121 LYS CE . 26724 1 45 . 1 1 5 5 LYS N N 15 121.214 0.002 . 1 . . . . 121 LYS N . 26724 1 46 . 1 1 6 6 TYR H H 1 8.959 0.001 . 1 . . . . 122 TYR H . 26724 1 47 . 1 1 6 6 TYR HA H 1 5.102 0.004 . 1 . . . . 122 TYR HA . 26724 1 48 . 1 1 6 6 TYR HB2 H 1 3.233 0.003 . 2 . . . . 122 TYR HB2 . 26724 1 49 . 1 1 6 6 TYR HB3 H 1 2.705 0.003 . 2 . . . . 122 TYR HB3 . 26724 1 50 . 1 1 6 6 TYR HD1 H 1 7.020 0.003 . 1 . . . . 122 TYR HD1 . 26724 1 51 . 1 1 6 6 TYR HD2 H 1 7.020 0.003 . 1 . . . . 122 TYR HD2 . 26724 1 52 . 1 1 6 6 TYR HE1 H 1 6.611 0.002 . 1 . . . . 122 TYR HE1 . 26724 1 53 . 1 1 6 6 TYR HE2 H 1 6.611 0.002 . 1 . . . . 122 TYR HE2 . 26724 1 54 . 1 1 6 6 TYR C C 13 174.498 0.038 . 1 . . . . 122 TYR C . 26724 1 55 . 1 1 6 6 TYR CA C 13 57.051 0.054 . 1 . . . . 122 TYR CA . 26724 1 56 . 1 1 6 6 TYR CB C 13 41.082 0.038 . 1 . . . . 122 TYR CB . 26724 1 57 . 1 1 6 6 TYR CD1 C 13 133.239 0.024 . 1 . . . . 122 TYR CD1 . 26724 1 58 . 1 1 6 6 TYR CD2 C 13 133.239 0.024 . 1 . . . . 122 TYR CD2 . 26724 1 59 . 1 1 6 6 TYR CE1 C 13 117.527 0.042 . 1 . . . . 122 TYR CE1 . 26724 1 60 . 1 1 6 6 TYR CE2 C 13 117.527 0.042 . 1 . . . . 122 TYR CE2 . 26724 1 61 . 1 1 6 6 TYR N N 15 121.098 0.002 . 1 . . . . 122 TYR N . 26724 1 62 . 1 1 7 7 ASN H H 1 8.897 0.001 . 1 . . . . 123 ASN H . 26724 1 63 . 1 1 7 7 ASN HA H 1 4.738 0.007 . 1 . . . . 123 ASN HA . 26724 1 64 . 1 1 7 7 ASN HB2 H 1 2.930 0.002 . 2 . . . . 123 ASN HB2 . 26724 1 65 . 1 1 7 7 ASN HB3 H 1 3.109 0.011 . 2 . . . . 123 ASN HB3 . 26724 1 66 . 1 1 7 7 ASN HD21 H 1 7.762 0.001 . 1 . . . . 123 ASN HD21 . 26724 1 67 . 1 1 7 7 ASN HD22 H 1 7.077 0.002 . 1 . . . . 123 ASN HD22 . 26724 1 68 . 1 1 7 7 ASN C C 13 174.114 0.000 . 1 . . . . 123 ASN C . 26724 1 69 . 1 1 7 7 ASN CA C 13 52.586 0.056 . 1 . . . . 123 ASN CA . 26724 1 70 . 1 1 7 7 ASN CB C 13 35.751 0.036 . 1 . . . . 123 ASN CB . 26724 1 71 . 1 1 7 7 ASN N N 15 116.410 0.021 . 1 . . . . 123 ASN N . 26724 1 72 . 1 1 7 7 ASN ND2 N 15 114.731 0.003 . 1 . . . . 123 ASN ND2 . 26724 1 73 . 1 1 8 8 PRO HA H 1 4.270 0.003 . 1 . . . . 124 PRO HA . 26724 1 74 . 1 1 8 8 PRO HB2 H 1 2.440 0.007 . 2 . . . . 124 PRO HB2 . 26724 1 75 . 1 1 8 8 PRO HB3 H 1 2.010 0.008 . 2 . . . . 124 PRO HB3 . 26724 1 76 . 1 1 8 8 PRO HG2 H 1 2.223 0.004 . 2 . . . . 124 PRO HG2 . 26724 1 77 . 1 1 8 8 PRO HG3 H 1 2.141 0.005 . 2 . . . . 124 PRO HG3 . 26724 1 78 . 1 1 8 8 PRO HD2 H 1 3.901 0.005 . 1 . . . . 124 PRO HD2 . 26724 1 79 . 1 1 8 8 PRO C C 13 178.781 0.041 . 1 . . . . 124 PRO C . 26724 1 80 . 1 1 8 8 PRO CA C 13 66.416 0.010 . 1 . . . . 124 PRO CA . 26724 1 81 . 1 1 8 8 PRO CB C 13 32.224 0.043 . 1 . . . . 124 PRO CB . 26724 1 82 . 1 1 8 8 PRO CG C 13 27.820 0.023 . 1 . . . . 124 PRO CG . 26724 1 83 . 1 1 8 8 PRO CD C 13 50.745 0.010 . 1 . . . . 124 PRO CD . 26724 1 84 . 1 1 9 9 GLU H H 1 9.270 0.001 . 1 . . . . 125 GLU H . 26724 1 85 . 1 1 9 9 GLU HA H 1 4.107 0.004 . 1 . . . . 125 GLU HA . 26724 1 86 . 1 1 9 9 GLU HB2 H 1 2.047 0.006 . 1 . . . . 125 GLU HB2 . 26724 1 87 . 1 1 9 9 GLU HG2 H 1 2.381 0.004 . 1 . . . . 125 GLU HG2 . 26724 1 88 . 1 1 9 9 GLU C C 13 178.924 0.022 . 1 . . . . 125 GLU C . 26724 1 89 . 1 1 9 9 GLU CA C 13 59.800 0.002 . 1 . . . . 125 GLU CA . 26724 1 90 . 1 1 9 9 GLU CB C 13 28.900 0.000 . 1 . . . . 125 GLU CB . 26724 1 91 . 1 1 9 9 GLU N N 15 118.362 0.011 . 1 . . . . 125 GLU N . 26724 1 92 . 1 1 10 10 VAL H H 1 7.587 0.002 . 1 . . . . 126 VAL H . 26724 1 93 . 1 1 10 10 VAL HA H 1 3.520 0.003 . 1 . . . . 126 VAL HA . 26724 1 94 . 1 1 10 10 VAL HB H 1 2.170 0.005 . 1 . . . . 126 VAL HB . 26724 1 95 . 1 1 10 10 VAL HG11 H 1 0.498 0.003 . 2 . . . . 126 VAL HG11 . 26724 1 96 . 1 1 10 10 VAL HG12 H 1 0.498 0.003 . 2 . . . . 126 VAL HG12 . 26724 1 97 . 1 1 10 10 VAL HG13 H 1 0.498 0.003 . 2 . . . . 126 VAL HG13 . 26724 1 98 . 1 1 10 10 VAL HG21 H 1 1.084 0.003 . 2 . . . . 126 VAL HG21 . 26724 1 99 . 1 1 10 10 VAL HG22 H 1 1.084 0.003 . 2 . . . . 126 VAL HG22 . 26724 1 100 . 1 1 10 10 VAL HG23 H 1 1.084 0.003 . 2 . . . . 126 VAL HG23 . 26724 1 101 . 1 1 10 10 VAL C C 13 177.947 0.027 . 1 . . . . 126 VAL C . 26724 1 102 . 1 1 10 10 VAL CA C 13 65.485 0.034 . 1 . . . . 126 VAL CA . 26724 1 103 . 1 1 10 10 VAL CB C 13 32.122 0.024 . 1 . . . . 126 VAL CB . 26724 1 104 . 1 1 10 10 VAL CG1 C 13 21.610 0.014 . 2 . . . . 126 VAL CG1 . 26724 1 105 . 1 1 10 10 VAL CG2 C 13 24.246 0.034 . 2 . . . . 126 VAL CG2 . 26724 1 106 . 1 1 10 10 VAL N N 15 120.407 0.012 . 1 . . . . 126 VAL N . 26724 1 107 . 1 1 11 11 GLU H H 1 8.427 0.001 . 1 . . . . 127 GLU H . 26724 1 108 . 1 1 11 11 GLU HA H 1 3.975 0.002 . 1 . . . . 127 GLU HA . 26724 1 109 . 1 1 11 11 GLU HB2 H 1 2.002 0.006 . 1 . . . . 127 GLU HB2 . 26724 1 110 . 1 1 11 11 GLU HG2 H 1 2.280 0.001 . 1 . . . . 127 GLU HG2 . 26724 1 111 . 1 1 11 11 GLU C C 13 178.574 0.016 . 1 . . . . 127 GLU C . 26724 1 112 . 1 1 11 11 GLU CA C 13 59.545 0.033 . 1 . . . . 127 GLU CA . 26724 1 113 . 1 1 11 11 GLU CB C 13 29.050 0.000 . 1 . . . . 127 GLU CB . 26724 1 114 . 1 1 11 11 GLU CG C 13 36.265 0.000 . 1 . . . . 127 GLU CG . 26724 1 115 . 1 1 11 11 GLU N N 15 120.068 0.009 . 1 . . . . 127 GLU N . 26724 1 116 . 1 1 12 12 ALA H H 1 8.040 0.002 . 1 . . . . 128 ALA H . 26724 1 117 . 1 1 12 12 ALA HA H 1 4.280 0.003 . 1 . . . . 128 ALA HA . 26724 1 118 . 1 1 12 12 ALA HB1 H 1 1.525 0.003 . 1 . . . . 128 ALA HB1 . 26724 1 119 . 1 1 12 12 ALA HB2 H 1 1.525 0.003 . 1 . . . . 128 ALA HB2 . 26724 1 120 . 1 1 12 12 ALA HB3 H 1 1.525 0.003 . 1 . . . . 128 ALA HB3 . 26724 1 121 . 1 1 12 12 ALA C C 13 180.930 0.047 . 1 . . . . 128 ALA C . 26724 1 122 . 1 1 12 12 ALA CA C 13 55.178 0.050 . 1 . . . . 128 ALA CA . 26724 1 123 . 1 1 12 12 ALA CB C 13 17.926 0.074 . 1 . . . . 128 ALA CB . 26724 1 124 . 1 1 12 12 ALA N N 15 119.156 0.009 . 1 . . . . 128 ALA N . 26724 1 125 . 1 1 13 13 LYS H H 1 7.186 0.001 . 1 . . . . 129 LYS H . 26724 1 126 . 1 1 13 13 LYS HA H 1 4.122 0.008 . 1 . . . . 129 LYS HA . 26724 1 127 . 1 1 13 13 LYS HB2 H 1 2.015 0.001 . 2 . . . . 129 LYS HB2 . 26724 1 128 . 1 1 13 13 LYS HB3 H 1 1.833 0.012 . 2 . . . . 129 LYS HB3 . 26724 1 129 . 1 1 13 13 LYS HG2 H 1 1.527 0.005 . 2 . . . . 129 LYS HG2 . 26724 1 130 . 1 1 13 13 LYS HG3 H 1 1.632 0.003 . 2 . . . . 129 LYS HG3 . 26724 1 131 . 1 1 13 13 LYS HE2 H 1 2.960 0.006 . 1 . . . . 129 LYS HE2 . 26724 1 132 . 1 1 13 13 LYS C C 13 180.047 0.033 . 1 . . . . 129 LYS C . 26724 1 133 . 1 1 13 13 LYS CA C 13 58.458 0.005 . 1 . . . . 129 LYS CA . 26724 1 134 . 1 1 13 13 LYS CB C 13 32.194 0.055 . 1 . . . . 129 LYS CB . 26724 1 135 . 1 1 13 13 LYS CG C 13 25.009 0.026 . 1 . . . . 129 LYS CG . 26724 1 136 . 1 1 13 13 LYS CE C 13 41.988 0.027 . 1 . . . . 129 LYS CE . 26724 1 137 . 1 1 13 13 LYS N N 15 117.823 0.020 . 1 . . . . 129 LYS N . 26724 1 138 . 1 1 14 14 LEU H H 1 8.576 0.001 . 1 . . . . 130 LEU H . 26724 1 139 . 1 1 14 14 LEU HA H 1 4.040 0.002 . 1 . . . . 130 LEU HA . 26724 1 140 . 1 1 14 14 LEU HB2 H 1 1.179 0.007 . 2 . . . . 130 LEU HB2 . 26724 1 141 . 1 1 14 14 LEU HB3 H 1 1.986 0.007 . 2 . . . . 130 LEU HB3 . 26724 1 142 . 1 1 14 14 LEU HG H 1 1.543 0.003 . 1 . . . . 130 LEU HG . 26724 1 143 . 1 1 14 14 LEU HD11 H 1 0.673 0.005 . 2 . . . . 130 LEU HD11 . 26724 1 144 . 1 1 14 14 LEU HD12 H 1 0.673 0.005 . 2 . . . . 130 LEU HD12 . 26724 1 145 . 1 1 14 14 LEU HD13 H 1 0.673 0.005 . 2 . . . . 130 LEU HD13 . 26724 1 146 . 1 1 14 14 LEU HD21 H 1 0.721 0.004 . 2 . . . . 130 LEU HD21 . 26724 1 147 . 1 1 14 14 LEU HD22 H 1 0.721 0.004 . 2 . . . . 130 LEU HD22 . 26724 1 148 . 1 1 14 14 LEU HD23 H 1 0.721 0.004 . 2 . . . . 130 LEU HD23 . 26724 1 149 . 1 1 14 14 LEU C C 13 178.755 0.043 . 1 . . . . 130 LEU C . 26724 1 150 . 1 1 14 14 LEU CA C 13 57.437 0.007 . 1 . . . . 130 LEU CA . 26724 1 151 . 1 1 14 14 LEU CB C 13 40.919 0.049 . 1 . . . . 130 LEU CB . 26724 1 152 . 1 1 14 14 LEU CG C 13 26.608 0.020 . 1 . . . . 130 LEU CG . 26724 1 153 . 1 1 14 14 LEU CD1 C 13 22.372 0.058 . 2 . . . . 130 LEU CD1 . 26724 1 154 . 1 1 14 14 LEU CD2 C 13 26.211 0.071 . 2 . . . . 130 LEU CD2 . 26724 1 155 . 1 1 14 14 LEU N N 15 121.673 0.031 . 1 . . . . 130 LEU N . 26724 1 156 . 1 1 15 15 ASP H H 1 8.610 0.001 . 1 . . . . 131 ASP H . 26724 1 157 . 1 1 15 15 ASP HA H 1 4.558 0.004 . 1 . . . . 131 ASP HA . 26724 1 158 . 1 1 15 15 ASP HB2 H 1 2.904 0.014 . 2 . . . . 131 ASP HB2 . 26724 1 159 . 1 1 15 15 ASP HB3 H 1 2.731 0.007 . 2 . . . . 131 ASP HB3 . 26724 1 160 . 1 1 15 15 ASP C C 13 179.202 0.032 . 1 . . . . 131 ASP C . 26724 1 161 . 1 1 15 15 ASP CA C 13 58.078 0.024 . 1 . . . . 131 ASP CA . 26724 1 162 . 1 1 15 15 ASP CB C 13 40.641 0.037 . 1 . . . . 131 ASP CB . 26724 1 163 . 1 1 15 15 ASP N N 15 120.383 0.010 . 1 . . . . 131 ASP N . 26724 1 164 . 1 1 16 16 VAL H H 1 7.298 0.001 . 1 . . . . 132 VAL H . 26724 1 165 . 1 1 16 16 VAL HA H 1 3.650 0.006 . 1 . . . . 132 VAL HA . 26724 1 166 . 1 1 16 16 VAL HB H 1 2.290 0.002 . 1 . . . . 132 VAL HB . 26724 1 167 . 1 1 16 16 VAL HG11 H 1 1.045 0.003 . 2 . . . . 132 VAL HG11 . 26724 1 168 . 1 1 16 16 VAL HG12 H 1 1.045 0.003 . 2 . . . . 132 VAL HG12 . 26724 1 169 . 1 1 16 16 VAL HG13 H 1 1.045 0.003 . 2 . . . . 132 VAL HG13 . 26724 1 170 . 1 1 16 16 VAL HG21 H 1 1.181 0.002 . 2 . . . . 132 VAL HG21 . 26724 1 171 . 1 1 16 16 VAL HG22 H 1 1.181 0.002 . 2 . . . . 132 VAL HG22 . 26724 1 172 . 1 1 16 16 VAL HG23 H 1 1.181 0.002 . 2 . . . . 132 VAL HG23 . 26724 1 173 . 1 1 16 16 VAL C C 13 178.103 0.032 . 1 . . . . 132 VAL C . 26724 1 174 . 1 1 16 16 VAL CA C 13 66.713 0.026 . 1 . . . . 132 VAL CA . 26724 1 175 . 1 1 16 16 VAL CB C 13 31.888 0.019 . 1 . . . . 132 VAL CB . 26724 1 176 . 1 1 16 16 VAL CG1 C 13 21.165 0.031 . 2 . . . . 132 VAL CG1 . 26724 1 177 . 1 1 16 16 VAL CG2 C 13 22.560 0.039 . 2 . . . . 132 VAL CG2 . 26724 1 178 . 1 1 16 16 VAL N N 15 119.613 0.021 . 1 . . . . 132 VAL N . 26724 1 179 . 1 1 17 17 ALA H H 1 7.778 0.003 . 1 . . . . 133 ALA H . 26724 1 180 . 1 1 17 17 ALA HA H 1 4.404 0.009 . 1 . . . . 133 ALA HA . 26724 1 181 . 1 1 17 17 ALA HB1 H 1 1.516 0.009 . 1 . . . . 133 ALA HB1 . 26724 1 182 . 1 1 17 17 ALA HB2 H 1 1.516 0.009 . 1 . . . . 133 ALA HB2 . 26724 1 183 . 1 1 17 17 ALA HB3 H 1 1.516 0.009 . 1 . . . . 133 ALA HB3 . 26724 1 184 . 1 1 17 17 ALA C C 13 179.707 0.002 . 1 . . . . 133 ALA C . 26724 1 185 . 1 1 17 17 ALA CA C 13 55.245 0.080 . 1 . . . . 133 ALA CA . 26724 1 186 . 1 1 17 17 ALA CB C 13 18.189 0.036 . 1 . . . . 133 ALA CB . 26724 1 187 . 1 1 17 17 ALA N N 15 122.809 0.016 . 1 . . . . 133 ALA N . 26724 1 188 . 1 1 18 18 ARG H H 1 9.097 0.001 . 1 . . . . 134 ARG H . 26724 1 189 . 1 1 18 18 ARG HA H 1 4.070 0.004 . 1 . . . . 134 ARG HA . 26724 1 190 . 1 1 18 18 ARG HB2 H 1 1.974 0.003 . 2 . . . . 134 ARG HB2 . 26724 1 191 . 1 1 18 18 ARG HB3 H 1 2.037 0.001 . 2 . . . . 134 ARG HB3 . 26724 1 192 . 1 1 18 18 ARG HG2 H 1 1.887 0.009 . 1 . . . . 134 ARG HG2 . 26724 1 193 . 1 1 18 18 ARG HD2 H 1 3.155 0.003 . 2 . . . . 134 ARG HD2 . 26724 1 194 . 1 1 18 18 ARG HD3 H 1 3.192 0.005 . 2 . . . . 134 ARG HD3 . 26724 1 195 . 1 1 18 18 ARG C C 13 179.224 0.026 . 1 . . . . 134 ARG C . 26724 1 196 . 1 1 18 18 ARG CA C 13 60.094 0.131 . 1 . . . . 134 ARG CA . 26724 1 197 . 1 1 18 18 ARG CB C 13 30.222 0.047 . 1 . . . . 134 ARG CB . 26724 1 198 . 1 1 18 18 ARG CG C 13 29.014 0.133 . 1 . . . . 134 ARG CG . 26724 1 199 . 1 1 18 18 ARG CD C 13 43.588 0.023 . 1 . . . . 134 ARG CD . 26724 1 200 . 1 1 18 18 ARG N N 15 118.442 0.023 . 1 . . . . 134 ARG N . 26724 1 201 . 1 1 19 19 ARG H H 1 7.750 0.001 . 1 . . . . 135 ARG H . 26724 1 202 . 1 1 19 19 ARG HA H 1 4.130 0.006 . 1 . . . . 135 ARG HA . 26724 1 203 . 1 1 19 19 ARG HB2 H 1 2.049 0.009 . 2 . . . . 135 ARG HB2 . 26724 1 204 . 1 1 19 19 ARG HB3 H 1 1.992 0.006 . 2 . . . . 135 ARG HB3 . 26724 1 205 . 1 1 19 19 ARG HG2 H 1 1.923 0.005 . 2 . . . . 135 ARG HG2 . 26724 1 206 . 1 1 19 19 ARG HG3 H 1 1.654 0.005 . 2 . . . . 135 ARG HG3 . 26724 1 207 . 1 1 19 19 ARG HD2 H 1 3.315 0.003 . 2 . . . . 135 ARG HD2 . 26724 1 208 . 1 1 19 19 ARG HD3 H 1 3.210 0.004 . 2 . . . . 135 ARG HD3 . 26724 1 209 . 1 1 19 19 ARG C C 13 179.549 0.023 . 1 . . . . 135 ARG C . 26724 1 210 . 1 1 19 19 ARG CA C 13 59.695 0.046 . 1 . . . . 135 ARG CA . 26724 1 211 . 1 1 19 19 ARG CB C 13 30.204 0.021 . 1 . . . . 135 ARG CB . 26724 1 212 . 1 1 19 19 ARG CG C 13 28.283 0.042 . 1 . . . . 135 ARG CG . 26724 1 213 . 1 1 19 19 ARG CD C 13 43.649 0.071 . 1 . . . . 135 ARG CD . 26724 1 214 . 1 1 19 19 ARG N N 15 119.529 0.001 . 1 . . . . 135 ARG N . 26724 1 215 . 1 1 20 20 LEU H H 1 8.406 0.004 . 1 . . . . 136 LEU H . 26724 1 216 . 1 1 20 20 LEU HA H 1 4.107 0.003 . 1 . . . . 136 LEU HA . 26724 1 217 . 1 1 20 20 LEU HB2 H 1 1.829 0.004 . 2 . . . . 136 LEU HB2 . 26724 1 218 . 1 1 20 20 LEU HB3 H 1 2.179 0.003 . 2 . . . . 136 LEU HB3 . 26724 1 219 . 1 1 20 20 LEU HG H 1 1.905 0.002 . 1 . . . . 136 LEU HG . 26724 1 220 . 1 1 20 20 LEU HD11 H 1 1.013 0.003 . 2 . . . . 136 LEU HD11 . 26724 1 221 . 1 1 20 20 LEU HD12 H 1 1.013 0.003 . 2 . . . . 136 LEU HD12 . 26724 1 222 . 1 1 20 20 LEU HD13 H 1 1.013 0.003 . 2 . . . . 136 LEU HD13 . 26724 1 223 . 1 1 20 20 LEU HD21 H 1 1.066 0.001 . 2 . . . . 136 LEU HD21 . 26724 1 224 . 1 1 20 20 LEU HD22 H 1 1.066 0.001 . 2 . . . . 136 LEU HD22 . 26724 1 225 . 1 1 20 20 LEU HD23 H 1 1.066 0.001 . 2 . . . . 136 LEU HD23 . 26724 1 226 . 1 1 20 20 LEU C C 13 178.357 0.039 . 1 . . . . 136 LEU C . 26724 1 227 . 1 1 20 20 LEU CA C 13 58.210 0.062 . 1 . . . . 136 LEU CA . 26724 1 228 . 1 1 20 20 LEU CB C 13 41.893 0.036 . 1 . . . . 136 LEU CB . 26724 1 229 . 1 1 20 20 LEU CG C 13 27.247 0.025 . 1 . . . . 136 LEU CG . 26724 1 230 . 1 1 20 20 LEU CD1 C 13 24.067 0.034 . 2 . . . . 136 LEU CD1 . 26724 1 231 . 1 1 20 20 LEU CD2 C 13 25.514 0.024 . 2 . . . . 136 LEU CD2 . 26724 1 232 . 1 1 20 20 LEU N N 15 122.936 0.020 . 1 . . . . 136 LEU N . 26724 1 233 . 1 1 21 21 PHE H H 1 8.940 0.000 . 1 . . . . 137 PHE H . 26724 1 234 . 1 1 21 21 PHE HA H 1 3.648 0.005 . 1 . . . . 137 PHE HA . 26724 1 235 . 1 1 21 21 PHE HB2 H 1 3.152 0.004 . 2 . . . . 137 PHE HB2 . 26724 1 236 . 1 1 21 21 PHE HB3 H 1 3.393 0.003 . 2 . . . . 137 PHE HB3 . 26724 1 237 . 1 1 21 21 PHE HD1 H 1 6.920 0.003 . 1 . . . . 137 PHE HD1 . 26724 1 238 . 1 1 21 21 PHE HD2 H 1 6.920 0.003 . 1 . . . . 137 PHE HD2 . 26724 1 239 . 1 1 21 21 PHE HE1 H 1 7.070 0.003 . 1 . . . . 137 PHE HE1 . 26724 1 240 . 1 1 21 21 PHE HE2 H 1 7.070 0.003 . 1 . . . . 137 PHE HE2 . 26724 1 241 . 1 1 21 21 PHE HZ H 1 7.227 0.003 . 1 . . . . 137 PHE HZ . 26724 1 242 . 1 1 21 21 PHE C C 13 176.851 0.091 . 1 . . . . 137 PHE C . 26724 1 243 . 1 1 21 21 PHE CA C 13 62.576 0.064 . 1 . . . . 137 PHE CA . 26724 1 244 . 1 1 21 21 PHE CB C 13 39.866 0.056 . 1 . . . . 137 PHE CB . 26724 1 245 . 1 1 21 21 PHE CD1 C 13 131.870 0.048 . 1 . . . . 137 PHE CD1 . 26724 1 246 . 1 1 21 21 PHE CD2 C 13 131.870 0.048 . 1 . . . . 137 PHE CD2 . 26724 1 247 . 1 1 21 21 PHE CE1 C 13 131.184 0.116 . 1 . . . . 137 PHE CE1 . 26724 1 248 . 1 1 21 21 PHE CE2 C 13 131.184 0.116 . 1 . . . . 137 PHE CE2 . 26724 1 249 . 1 1 21 21 PHE CZ C 13 130.015 0.033 . 1 . . . . 137 PHE CZ . 26724 1 250 . 1 1 21 21 PHE N N 15 120.064 0.003 . 1 . . . . 137 PHE N . 26724 1 251 . 1 1 22 22 LYS H H 1 7.717 0.001 . 1 . . . . 138 LYS H . 26724 1 252 . 1 1 22 22 LYS HA H 1 4.090 0.004 . 1 . . . . 138 LYS HA . 26724 1 253 . 1 1 22 22 LYS HB2 H 1 2.017 0.003 . 1 . . . . 138 LYS HB2 . 26724 1 254 . 1 1 22 22 LYS HG2 H 1 1.663 0.005 . 2 . . . . 138 LYS HG2 . 26724 1 255 . 1 1 22 22 LYS HG3 H 1 1.791 0.004 . 2 . . . . 138 LYS HG3 . 26724 1 256 . 1 1 22 22 LYS HD2 H 1 1.799 0.003 . 1 . . . . 138 LYS HD2 . 26724 1 257 . 1 1 22 22 LYS HE2 H 1 3.042 0.003 . 1 . . . . 138 LYS HE2 . 26724 1 258 . 1 1 22 22 LYS C C 13 178.433 0.015 . 1 . . . . 138 LYS C . 26724 1 259 . 1 1 22 22 LYS CA C 13 59.127 0.037 . 1 . . . . 138 LYS CA . 26724 1 260 . 1 1 22 22 LYS CB C 13 32.581 0.019 . 1 . . . . 138 LYS CB . 26724 1 261 . 1 1 22 22 LYS CG C 13 25.699 0.057 . 1 . . . . 138 LYS CG . 26724 1 262 . 1 1 22 22 LYS CD C 13 29.267 0.046 . 1 . . . . 138 LYS CD . 26724 1 263 . 1 1 22 22 LYS CE C 13 42.069 0.033 . 1 . . . . 138 LYS CE . 26724 1 264 . 1 1 22 22 LYS N N 15 114.835 0.013 . 1 . . . . 138 LYS N . 26724 1 265 . 1 1 23 23 ARG H H 1 7.620 0.001 . 1 . . . . 139 ARG H . 26724 1 266 . 1 1 23 23 ARG HA H 1 3.845 0.002 . 1 . . . . 139 ARG HA . 26724 1 267 . 1 1 23 23 ARG HB2 H 1 1.773 0.003 . 1 . . . . 139 ARG HB2 . 26724 1 268 . 1 1 23 23 ARG HG2 H 1 1.343 0.003 . 2 . . . . 139 ARG HG2 . 26724 1 269 . 1 1 23 23 ARG HG3 H 1 0.821 0.004 . 2 . . . . 139 ARG HG3 . 26724 1 270 . 1 1 23 23 ARG HD2 H 1 2.937 0.002 . 1 . . . . 139 ARG HD2 . 26724 1 271 . 1 1 23 23 ARG C C 13 177.659 0.039 . 1 . . . . 139 ARG C . 26724 1 272 . 1 1 23 23 ARG CA C 13 58.535 0.052 . 1 . . . . 139 ARG CA . 26724 1 273 . 1 1 23 23 ARG CB C 13 29.907 0.078 . 1 . . . . 139 ARG CB . 26724 1 274 . 1 1 23 23 ARG CG C 13 26.616 0.060 . 1 . . . . 139 ARG CG . 26724 1 275 . 1 1 23 23 ARG CD C 13 43.734 0.041 . 1 . . . . 139 ARG CD . 26724 1 276 . 1 1 23 23 ARG N N 15 118.180 0.004 . 1 . . . . 139 ARG N . 26724 1 277 . 1 1 24 24 TYR H H 1 7.563 0.001 . 1 . . . . 140 TYR H . 26724 1 278 . 1 1 24 24 TYR HA H 1 4.315 0.003 . 1 . . . . 140 TYR HA . 26724 1 279 . 1 1 24 24 TYR HB2 H 1 2.259 0.007 . 2 . . . . 140 TYR HB2 . 26724 1 280 . 1 1 24 24 TYR HB3 H 1 3.236 0.002 . 2 . . . . 140 TYR HB3 . 26724 1 281 . 1 1 24 24 TYR HD1 H 1 7.260 0.004 . 1 . . . . 140 TYR HD1 . 26724 1 282 . 1 1 24 24 TYR HD2 H 1 7.260 0.004 . 1 . . . . 140 TYR HD2 . 26724 1 283 . 1 1 24 24 TYR HE1 H 1 6.747 0.002 . 1 . . . . 140 TYR HE1 . 26724 1 284 . 1 1 24 24 TYR HE2 H 1 6.747 0.002 . 1 . . . . 140 TYR HE2 . 26724 1 285 . 1 1 24 24 TYR C C 13 176.117 0.029 . 1 . . . . 140 TYR C . 26724 1 286 . 1 1 24 24 TYR CA C 13 60.581 0.037 . 1 . . . . 140 TYR CA . 26724 1 287 . 1 1 24 24 TYR CB C 13 38.075 0.024 . 1 . . . . 140 TYR CB . 26724 1 288 . 1 1 24 24 TYR CD1 C 13 132.980 0.050 . 1 . . . . 140 TYR CD1 . 26724 1 289 . 1 1 24 24 TYR CD2 C 13 132.980 0.050 . 1 . . . . 140 TYR CD2 . 26724 1 290 . 1 1 24 24 TYR CE1 C 13 117.467 0.042 . 1 . . . . 140 TYR CE1 . 26724 1 291 . 1 1 24 24 TYR CE2 C 13 117.467 0.042 . 1 . . . . 140 TYR CE2 . 26724 1 292 . 1 1 24 24 TYR N N 15 114.554 0.028 . 1 . . . . 140 TYR N . 26724 1 293 . 1 1 25 25 ASP H H 1 7.851 0.000 . 1 . . . . 141 ASP H . 26724 1 294 . 1 1 25 25 ASP HA H 1 4.644 0.007 . 1 . . . . 141 ASP HA . 26724 1 295 . 1 1 25 25 ASP HB2 H 1 1.832 0.004 . 2 . . . . 141 ASP HB2 . 26724 1 296 . 1 1 25 25 ASP HB3 H 1 2.692 0.008 . 2 . . . . 141 ASP HB3 . 26724 1 297 . 1 1 25 25 ASP C C 13 177.965 0.057 . 1 . . . . 141 ASP C . 26724 1 298 . 1 1 25 25 ASP CA C 13 52.412 0.014 . 1 . . . . 141 ASP CA . 26724 1 299 . 1 1 25 25 ASP CB C 13 37.977 0.067 . 1 . . . . 141 ASP CB . 26724 1 300 . 1 1 25 25 ASP N N 15 121.812 0.002 . 1 . . . . 141 ASP N . 26724 1 301 . 1 1 26 26 LYS H H 1 7.928 0.005 . 1 . . . . 142 LYS H . 26724 1 302 . 1 1 26 26 LYS HA H 1 3.958 0.003 . 1 . . . . 142 LYS HA . 26724 1 303 . 1 1 26 26 LYS HB2 H 1 1.937 0.003 . 1 . . . . 142 LYS HB2 . 26724 1 304 . 1 1 26 26 LYS HG2 H 1 1.580 0.015 . 2 . . . . 142 LYS HG2 . 26724 1 305 . 1 1 26 26 LYS HG3 H 1 1.547 0.003 . 2 . . . . 142 LYS HG3 . 26724 1 306 . 1 1 26 26 LYS HD2 H 1 1.776 0.007 . 1 . . . . 142 LYS HD2 . 26724 1 307 . 1 1 26 26 LYS HE2 H 1 3.056 0.003 . 1 . . . . 142 LYS HE2 . 26724 1 308 . 1 1 26 26 LYS C C 13 177.339 0.066 . 1 . . . . 142 LYS C . 26724 1 309 . 1 1 26 26 LYS CA C 13 59.152 0.059 . 1 . . . . 142 LYS CA . 26724 1 310 . 1 1 26 26 LYS CB C 13 32.800 0.088 . 1 . . . . 142 LYS CB . 26724 1 311 . 1 1 26 26 LYS CG C 13 24.990 0.042 . 1 . . . . 142 LYS CG . 26724 1 312 . 1 1 26 26 LYS CD C 13 28.952 0.002 . 1 . . . . 142 LYS CD . 26724 1 313 . 1 1 26 26 LYS CE C 13 41.904 0.000 . 1 . . . . 142 LYS CE . 26724 1 314 . 1 1 26 26 LYS N N 15 125.324 0.019 . 1 . . . . 142 LYS N . 26724 1 315 . 1 1 27 27 ASP H H 1 7.993 0.002 . 1 . . . . 143 ASP H . 26724 1 316 . 1 1 27 27 ASP HA H 1 4.669 0.003 . 1 . . . . 143 ASP HA . 26724 1 317 . 1 1 27 27 ASP HB2 H 1 2.722 0.002 . 2 . . . . 143 ASP HB2 . 26724 1 318 . 1 1 27 27 ASP HB3 H 1 3.135 0.002 . 2 . . . . 143 ASP HB3 . 26724 1 319 . 1 1 27 27 ASP C C 13 177.467 0.009 . 1 . . . . 143 ASP C . 26724 1 320 . 1 1 27 27 ASP CA C 13 52.428 0.063 . 1 . . . . 143 ASP CA . 26724 1 321 . 1 1 27 27 ASP CB C 13 39.737 0.021 . 1 . . . . 143 ASP CB . 26724 1 322 . 1 1 27 27 ASP N N 15 114.349 0.029 . 1 . . . . 143 ASP N . 26724 1 323 . 1 1 28 28 GLY H H 1 8.158 0.000 . 1 . . . . 144 GLY H . 26724 1 324 . 1 1 28 28 GLY HA2 H 1 3.882 0.013 . 2 . . . . 144 GLY HA2 . 26724 1 325 . 1 1 28 28 GLY HA3 H 1 3.781 0.011 . 2 . . . . 144 GLY HA3 . 26724 1 326 . 1 1 28 28 GLY C C 13 175.330 0.000 . 1 . . . . 144 GLY C . 26724 1 327 . 1 1 28 28 GLY CA C 13 46.726 0.050 . 1 . . . . 144 GLY CA . 26724 1 328 . 1 1 28 28 GLY N N 15 109.359 0.001 . 1 . . . . 144 GLY N . 26724 1 329 . 1 1 29 29 SER H H 1 8.296 0.001 . 1 . . . . 145 SER H . 26724 1 330 . 1 1 29 29 SER HA H 1 4.284 0.001 . 1 . . . . 145 SER HA . 26724 1 331 . 1 1 29 29 SER HB2 H 1 4.249 0.003 . 2 . . . . 145 SER HB2 . 26724 1 332 . 1 1 29 29 SER HB3 H 1 3.898 0.004 . 2 . . . . 145 SER HB3 . 26724 1 333 . 1 1 29 29 SER C C 13 175.670 0.097 . 1 . . . . 145 SER C . 26724 1 334 . 1 1 29 29 SER CA C 13 59.580 0.040 . 1 . . . . 145 SER CA . 26724 1 335 . 1 1 29 29 SER CB C 13 64.722 0.016 . 1 . . . . 145 SER CB . 26724 1 336 . 1 1 29 29 SER N N 15 116.120 0.003 . 1 . . . . 145 SER N . 26724 1 337 . 1 1 30 30 GLY H H 1 11.167 0.000 . 1 . . . . 146 GLY H . 26724 1 338 . 1 1 30 30 GLY HA2 H 1 3.704 0.012 . 2 . . . . 146 GLY HA2 . 26724 1 339 . 1 1 30 30 GLY HA3 H 1 4.449 0.010 . 2 . . . . 146 GLY HA3 . 26724 1 340 . 1 1 30 30 GLY C C 13 173.029 0.000 . 1 . . . . 146 GLY C . 26724 1 341 . 1 1 30 30 GLY CA C 13 45.074 0.059 . 1 . . . . 146 GLY CA . 26724 1 342 . 1 1 30 30 GLY N N 15 116.509 0.002 . 1 . . . . 146 GLY N . 26724 1 343 . 1 1 31 31 GLN H H 1 7.728 0.001 . 1 . . . . 147 GLN H . 26724 1 344 . 1 1 31 31 GLN HA H 1 5.104 0.004 . 1 . . . . 147 GLN HA . 26724 1 345 . 1 1 31 31 GLN HB2 H 1 1.847 0.001 . 1 . . . . 147 GLN HB2 . 26724 1 346 . 1 1 31 31 GLN HG2 H 1 2.347 0.007 . 2 . . . . 147 GLN HG2 . 26724 1 347 . 1 1 31 31 GLN HG3 H 1 2.158 0.009 . 2 . . . . 147 GLN HG3 . 26724 1 348 . 1 1 31 31 GLN HE21 H 1 7.457 0.001 . 1 . . . . 147 GLN HE21 . 26724 1 349 . 1 1 31 31 GLN HE22 H 1 6.647 0.001 . 1 . . . . 147 GLN HE22 . 26724 1 350 . 1 1 31 31 GLN C C 13 175.198 0.000 . 1 . . . . 147 GLN C . 26724 1 351 . 1 1 31 31 GLN CA C 13 53.206 0.037 . 1 . . . . 147 GLN CA . 26724 1 352 . 1 1 31 31 GLN CB C 13 31.741 0.002 . 1 . . . . 147 GLN CB . 26724 1 353 . 1 1 31 31 GLN CG C 13 32.507 0.054 . 1 . . . . 147 GLN CG . 26724 1 354 . 1 1 31 31 GLN N N 15 114.827 0.000 . 1 . . . . 147 GLN N . 26724 1 355 . 1 1 31 31 GLN NE2 N 15 109.828 0.001 . 1 . . . . 147 GLN NE2 . 26724 1 356 . 1 1 32 32 LEU H H 1 10.054 0.006 . 1 . . . . 148 LEU H . 26724 1 357 . 1 1 32 32 LEU HA H 1 5.304 0.005 . 1 . . . . 148 LEU HA . 26724 1 358 . 1 1 32 32 LEU HB2 H 1 1.187 0.006 . 2 . . . . 148 LEU HB2 . 26724 1 359 . 1 1 32 32 LEU HB3 H 1 1.826 0.010 . 2 . . . . 148 LEU HB3 . 26724 1 360 . 1 1 32 32 LEU HG H 1 1.319 0.007 . 1 . . . . 148 LEU HG . 26724 1 361 . 1 1 32 32 LEU HD11 H 1 0.104 0.004 . 2 . . . . 148 LEU HD11 . 26724 1 362 . 1 1 32 32 LEU HD12 H 1 0.104 0.004 . 2 . . . . 148 LEU HD12 . 26724 1 363 . 1 1 32 32 LEU HD13 H 1 0.104 0.004 . 2 . . . . 148 LEU HD13 . 26724 1 364 . 1 1 32 32 LEU HD21 H 1 0.413 0.002 . 2 . . . . 148 LEU HD21 . 26724 1 365 . 1 1 32 32 LEU HD22 H 1 0.413 0.002 . 2 . . . . 148 LEU HD22 . 26724 1 366 . 1 1 32 32 LEU HD23 H 1 0.413 0.002 . 2 . . . . 148 LEU HD23 . 26724 1 367 . 1 1 32 32 LEU C C 13 176.781 0.034 . 1 . . . . 148 LEU C . 26724 1 368 . 1 1 32 32 LEU CA C 13 53.269 0.028 . 1 . . . . 148 LEU CA . 26724 1 369 . 1 1 32 32 LEU CB C 13 42.834 0.029 . 1 . . . . 148 LEU CB . 26724 1 370 . 1 1 32 32 LEU CG C 13 26.012 0.048 . 1 . . . . 148 LEU CG . 26724 1 371 . 1 1 32 32 LEU CD1 C 13 22.194 0.038 . 2 . . . . 148 LEU CD1 . 26724 1 372 . 1 1 32 32 LEU CD2 C 13 26.542 0.074 . 2 . . . . 148 LEU CD2 . 26724 1 373 . 1 1 32 32 LEU N N 15 127.371 0.003 . 1 . . . . 148 LEU N . 26724 1 374 . 1 1 33 33 GLN H H 1 8.470 0.001 . 1 . . . . 149 GLN H . 26724 1 375 . 1 1 33 33 GLN HA H 1 4.898 0.004 . 1 . . . . 149 GLN HA . 26724 1 376 . 1 1 33 33 GLN HB2 H 1 2.303 0.003 . 2 . . . . 149 GLN HB2 . 26724 1 377 . 1 1 33 33 GLN HB3 H 1 2.068 0.002 . 2 . . . . 149 GLN HB3 . 26724 1 378 . 1 1 33 33 GLN HG2 H 1 2.434 0.004 . 2 . . . . 149 GLN HG2 . 26724 1 379 . 1 1 33 33 GLN HG3 H 1 2.292 0.003 . 2 . . . . 149 GLN HG3 . 26724 1 380 . 1 1 33 33 GLN HE21 H 1 7.685 0.000 . 1 . . . . 149 GLN HE21 . 26724 1 381 . 1 1 33 33 GLN HE22 H 1 6.969 0.000 . 1 . . . . 149 GLN HE22 . 26724 1 382 . 1 1 33 33 GLN C C 13 176.355 0.055 . 1 . . . . 149 GLN C . 26724 1 383 . 1 1 33 33 GLN CA C 13 54.211 0.024 . 1 . . . . 149 GLN CA . 26724 1 384 . 1 1 33 33 GLN CB C 13 31.748 0.062 . 1 . . . . 149 GLN CB . 26724 1 385 . 1 1 33 33 GLN CG C 13 34.598 0.052 . 1 . . . . 149 GLN CG . 26724 1 386 . 1 1 33 33 GLN N N 15 121.488 0.001 . 1 . . . . 149 GLN N . 26724 1 387 . 1 1 33 33 GLN NE2 N 15 113.184 0.003 . 1 . . . . 149 GLN NE2 . 26724 1 388 . 1 1 34 34 ASP H H 1 8.991 0.000 . 1 . . . . 150 ASP H . 26724 1 389 . 1 1 34 34 ASP HA H 1 4.087 0.003 . 1 . . . . 150 ASP HA . 26724 1 390 . 1 1 34 34 ASP HB2 H 1 2.767 0.002 . 1 . . . . 150 ASP HB2 . 26724 1 391 . 1 1 34 34 ASP C C 13 176.911 0.072 . 1 . . . . 150 ASP C . 26724 1 392 . 1 1 34 34 ASP CA C 13 58.140 0.024 . 1 . . . . 150 ASP CA . 26724 1 393 . 1 1 34 34 ASP CB C 13 40.398 0.041 . 1 . . . . 150 ASP CB . 26724 1 394 . 1 1 34 34 ASP N N 15 120.185 0.001 . 1 . . . . 150 ASP N . 26724 1 395 . 1 1 35 35 ASP H H 1 8.828 0.001 . 1 . . . . 151 ASP H . 26724 1 396 . 1 1 35 35 ASP HA H 1 4.395 0.004 . 1 . . . . 151 ASP HA . 26724 1 397 . 1 1 35 35 ASP HB2 H 1 2.747 0.002 . 1 . . . . 151 ASP HB2 . 26724 1 398 . 1 1 35 35 ASP C C 13 178.248 0.032 . 1 . . . . 151 ASP C . 26724 1 399 . 1 1 35 35 ASP CA C 13 56.600 0.030 . 1 . . . . 151 ASP CA . 26724 1 400 . 1 1 35 35 ASP CB C 13 39.857 0.043 . 1 . . . . 151 ASP CB . 26724 1 401 . 1 1 35 35 ASP N N 15 119.094 0.012 . 1 . . . . 151 ASP N . 26724 1 402 . 1 1 36 36 GLU H H 1 7.976 0.000 . 1 . . . . 152 GLU H . 26724 1 403 . 1 1 36 36 GLU HA H 1 4.356 0.004 . 1 . . . . 152 GLU HA . 26724 1 404 . 1 1 36 36 GLU HB2 H 1 2.335 0.008 . 1 . . . . 152 GLU HB2 . 26724 1 405 . 1 1 36 36 GLU HG2 H 1 2.701 0.004 . 2 . . . . 152 GLU HG2 . 26724 1 406 . 1 1 36 36 GLU HG3 H 1 2.437 0.002 . 2 . . . . 152 GLU HG3 . 26724 1 407 . 1 1 36 36 GLU C C 13 178.523 0.051 . 1 . . . . 152 GLU C . 26724 1 408 . 1 1 36 36 GLU CA C 13 57.886 0.010 . 1 . . . . 152 GLU CA . 26724 1 409 . 1 1 36 36 GLU CB C 13 30.747 0.060 . 1 . . . . 152 GLU CB . 26724 1 410 . 1 1 36 36 GLU CG C 13 36.785 0.013 . 1 . . . . 152 GLU CG . 26724 1 411 . 1 1 36 36 GLU N N 15 121.134 0.004 . 1 . . . . 152 GLU N . 26724 1 412 . 1 1 37 37 ILE H H 1 7.684 0.002 . 1 . . . . 153 ILE H . 26724 1 413 . 1 1 37 37 ILE HA H 1 3.161 0.003 . 1 . . . . 153 ILE HA . 26724 1 414 . 1 1 37 37 ILE HB H 1 1.863 0.003 . 1 . . . . 153 ILE HB . 26724 1 415 . 1 1 37 37 ILE HG12 H 1 1.591 0.005 . 2 . . . . 153 ILE HG12 . 26724 1 416 . 1 1 37 37 ILE HG13 H 1 0.816 0.003 . 2 . . . . 153 ILE HG13 . 26724 1 417 . 1 1 37 37 ILE HG21 H 1 0.642 0.004 . 1 . . . . 153 ILE HG21 . 26724 1 418 . 1 1 37 37 ILE HG22 H 1 0.642 0.004 . 1 . . . . 153 ILE HG22 . 26724 1 419 . 1 1 37 37 ILE HG23 H 1 0.642 0.004 . 1 . . . . 153 ILE HG23 . 26724 1 420 . 1 1 37 37 ILE HD11 H 1 1.008 0.003 . 1 . . . . 153 ILE HD11 . 26724 1 421 . 1 1 37 37 ILE HD12 H 1 1.008 0.003 . 1 . . . . 153 ILE HD12 . 26724 1 422 . 1 1 37 37 ILE HD13 H 1 1.008 0.003 . 1 . . . . 153 ILE HD13 . 26724 1 423 . 1 1 37 37 ILE C C 13 176.710 0.007 . 1 . . . . 153 ILE C . 26724 1 424 . 1 1 37 37 ILE CA C 13 64.495 0.044 . 1 . . . . 153 ILE CA . 26724 1 425 . 1 1 37 37 ILE CB C 13 38.029 0.037 . 1 . . . . 153 ILE CB . 26724 1 426 . 1 1 37 37 ILE CG1 C 13 30.484 0.032 . 1 . . . . 153 ILE CG1 . 26724 1 427 . 1 1 37 37 ILE CG2 C 13 18.927 0.040 . 1 . . . . 153 ILE CG2 . 26724 1 428 . 1 1 37 37 ILE CD1 C 13 14.555 0.050 . 1 . . . . 153 ILE CD1 . 26724 1 429 . 1 1 37 37 ILE N N 15 118.236 0.020 . 1 . . . . 153 ILE N . 26724 1 430 . 1 1 38 38 ALA H H 1 7.809 0.001 . 1 . . . . 154 ALA H . 26724 1 431 . 1 1 38 38 ALA HA H 1 3.586 0.004 . 1 . . . . 154 ALA HA . 26724 1 432 . 1 1 38 38 ALA HB1 H 1 1.378 0.003 . 1 . . . . 154 ALA HB1 . 26724 1 433 . 1 1 38 38 ALA HB2 H 1 1.378 0.003 . 1 . . . . 154 ALA HB2 . 26724 1 434 . 1 1 38 38 ALA HB3 H 1 1.378 0.003 . 1 . . . . 154 ALA HB3 . 26724 1 435 . 1 1 38 38 ALA C C 13 179.539 0.084 . 1 . . . . 154 ALA C . 26724 1 436 . 1 1 38 38 ALA CA C 13 55.957 0.037 . 1 . . . . 154 ALA CA . 26724 1 437 . 1 1 38 38 ALA CB C 13 17.545 0.053 . 1 . . . . 154 ALA CB . 26724 1 438 . 1 1 38 38 ALA N N 15 120.643 0.014 . 1 . . . . 154 ALA N . 26724 1 439 . 1 1 39 39 GLY H H 1 7.560 0.003 . 1 . . . . 155 GLY H . 26724 1 440 . 1 1 39 39 GLY HA2 H 1 3.630 0.008 . 1 . . . . 155 GLY HA2 . 26724 1 441 . 1 1 39 39 GLY C C 13 174.505 0.000 . 1 . . . . 155 GLY C . 26724 1 442 . 1 1 39 39 GLY CA C 13 47.021 0.035 . 1 . . . . 155 GLY CA . 26724 1 443 . 1 1 39 39 GLY N N 15 103.968 0.001 . 1 . . . . 155 GLY N . 26724 1 444 . 1 1 40 40 LEU H H 1 6.753 0.002 . 1 . . . . 156 LEU H . 26724 1 445 . 1 1 40 40 LEU HA H 1 3.015 0.005 . 1 . . . . 156 LEU HA . 26724 1 446 . 1 1 40 40 LEU HB2 H 1 0.782 0.009 . 2 . . . . 156 LEU HB2 . 26724 1 447 . 1 1 40 40 LEU HB3 H 1 1.261 0.005 . 2 . . . . 156 LEU HB3 . 26724 1 448 . 1 1 40 40 LEU HG H 1 1.060 0.006 . 1 . . . . 156 LEU HG . 26724 1 449 . 1 1 40 40 LEU HD11 H 1 0.157 0.003 . 2 . . . . 156 LEU HD11 . 26724 1 450 . 1 1 40 40 LEU HD12 H 1 0.157 0.003 . 2 . . . . 156 LEU HD12 . 26724 1 451 . 1 1 40 40 LEU HD13 H 1 0.157 0.003 . 2 . . . . 156 LEU HD13 . 26724 1 452 . 1 1 40 40 LEU HD21 H 1 0.465 0.006 . 2 . . . . 156 LEU HD21 . 26724 1 453 . 1 1 40 40 LEU HD22 H 1 0.465 0.006 . 2 . . . . 156 LEU HD22 . 26724 1 454 . 1 1 40 40 LEU HD23 H 1 0.465 0.006 . 2 . . . . 156 LEU HD23 . 26724 1 455 . 1 1 40 40 LEU C C 13 180.158 0.047 . 1 . . . . 156 LEU C . 26724 1 456 . 1 1 40 40 LEU CA C 13 58.130 0.038 . 1 . . . . 156 LEU CA . 26724 1 457 . 1 1 40 40 LEU CB C 13 41.554 0.038 . 1 . . . . 156 LEU CB . 26724 1 458 . 1 1 40 40 LEU CG C 13 26.777 0.023 . 1 . . . . 156 LEU CG . 26724 1 459 . 1 1 40 40 LEU CD1 C 13 25.199 0.042 . 2 . . . . 156 LEU CD1 . 26724 1 460 . 1 1 40 40 LEU CD2 C 13 25.378 0.045 . 2 . . . . 156 LEU CD2 . 26724 1 461 . 1 1 40 40 LEU N N 15 124.305 0.025 . 1 . . . . 156 LEU N . 26724 1 462 . 1 1 41 41 LEU H H 1 8.420 0.001 . 1 . . . . 157 LEU H . 26724 1 463 . 1 1 41 41 LEU HA H 1 3.588 0.004 . 1 . . . . 157 LEU HA . 26724 1 464 . 1 1 41 41 LEU HB2 H 1 1.139 0.018 . 2 . . . . 157 LEU HB2 . 26724 1 465 . 1 1 41 41 LEU HB3 H 1 1.376 0.005 . 2 . . . . 157 LEU HB3 . 26724 1 466 . 1 1 41 41 LEU HG H 1 1.168 0.006 . 1 . . . . 157 LEU HG . 26724 1 467 . 1 1 41 41 LEU HD11 H 1 0.173 0.010 . 2 . . . . 157 LEU HD11 . 26724 1 468 . 1 1 41 41 LEU HD12 H 1 0.173 0.010 . 2 . . . . 157 LEU HD12 . 26724 1 469 . 1 1 41 41 LEU HD13 H 1 0.173 0.010 . 2 . . . . 157 LEU HD13 . 26724 1 470 . 1 1 41 41 LEU HD21 H 1 0.408 0.004 . 2 . . . . 157 LEU HD21 . 26724 1 471 . 1 1 41 41 LEU HD22 H 1 0.408 0.004 . 2 . . . . 157 LEU HD22 . 26724 1 472 . 1 1 41 41 LEU HD23 H 1 0.408 0.004 . 2 . . . . 157 LEU HD23 . 26724 1 473 . 1 1 41 41 LEU C C 13 178.133 0.049 . 1 . . . . 157 LEU C . 26724 1 474 . 1 1 41 41 LEU CA C 13 57.372 0.031 . 1 . . . . 157 LEU CA . 26724 1 475 . 1 1 41 41 LEU CB C 13 41.562 0.079 . 1 . . . . 157 LEU CB . 26724 1 476 . 1 1 41 41 LEU CG C 13 26.218 0.034 . 1 . . . . 157 LEU CG . 26724 1 477 . 1 1 41 41 LEU CD1 C 13 21.624 0.041 . 2 . . . . 157 LEU CD1 . 26724 1 478 . 1 1 41 41 LEU CD2 C 13 25.014 0.070 . 2 . . . . 157 LEU CD2 . 26724 1 479 . 1 1 41 41 LEU N N 15 120.810 0.003 . 1 . . . . 157 LEU N . 26724 1 480 . 1 1 42 42 LYS H H 1 7.892 0.001 . 1 . . . . 158 LYS H . 26724 1 481 . 1 1 42 42 LYS HA H 1 3.947 0.005 . 1 . . . . 158 LYS HA . 26724 1 482 . 1 1 42 42 LYS HB2 H 1 2.063 0.003 . 2 . . . . 158 LYS HB2 . 26724 1 483 . 1 1 42 42 LYS HB3 H 1 1.828 0.005 . 2 . . . . 158 LYS HB3 . 26724 1 484 . 1 1 42 42 LYS HG2 H 1 1.679 0.003 . 2 . . . . 158 LYS HG2 . 26724 1 485 . 1 1 42 42 LYS HG3 H 1 1.550 0.003 . 2 . . . . 158 LYS HG3 . 26724 1 486 . 1 1 42 42 LYS HD2 H 1 1.777 0.003 . 1 . . . . 158 LYS HD2 . 26724 1 487 . 1 1 42 42 LYS HE2 H 1 3.041 0.006 . 1 . . . . 158 LYS HE2 . 26724 1 488 . 1 1 42 42 LYS C C 13 178.921 0.080 . 1 . . . . 158 LYS C . 26724 1 489 . 1 1 42 42 LYS CA C 13 60.505 0.042 . 1 . . . . 158 LYS CA . 26724 1 490 . 1 1 42 42 LYS CB C 13 32.287 0.053 . 1 . . . . 158 LYS CB . 26724 1 491 . 1 1 42 42 LYS CG C 13 24.953 0.044 . 1 . . . . 158 LYS CG . 26724 1 492 . 1 1 42 42 LYS CD C 13 29.102 0.002 . 1 . . . . 158 LYS CD . 26724 1 493 . 1 1 42 42 LYS CE C 13 41.987 0.013 . 1 . . . . 158 LYS CE . 26724 1 494 . 1 1 42 42 LYS N N 15 119.405 0.003 . 1 . . . . 158 LYS N . 26724 1 495 . 1 1 43 43 ASP H H 1 7.628 0.001 . 1 . . . . 159 ASP H . 26724 1 496 . 1 1 43 43 ASP HA H 1 4.556 0.002 . 1 . . . . 159 ASP HA . 26724 1 497 . 1 1 43 43 ASP HB2 H 1 2.825 0.003 . 2 . . . . 159 ASP HB2 . 26724 1 498 . 1 1 43 43 ASP HB3 H 1 2.771 0.008 . 2 . . . . 159 ASP HB3 . 26724 1 499 . 1 1 43 43 ASP C C 13 178.531 0.027 . 1 . . . . 159 ASP C . 26724 1 500 . 1 1 43 43 ASP CA C 13 56.928 0.033 . 1 . . . . 159 ASP CA . 26724 1 501 . 1 1 43 43 ASP CB C 13 40.727 0.021 . 1 . . . . 159 ASP CB . 26724 1 502 . 1 1 43 43 ASP N N 15 119.063 0.003 . 1 . . . . 159 ASP N . 26724 1 503 . 1 1 44 44 THR H H 1 8.232 0.001 . 1 . . . . 160 THR H . 26724 1 504 . 1 1 44 44 THR HA H 1 3.980 0.006 . 1 . . . . 160 THR HA . 26724 1 505 . 1 1 44 44 THR HB H 1 4.237 0.006 . 1 . . . . 160 THR HB . 26724 1 506 . 1 1 44 44 THR HG21 H 1 1.156 0.003 . 1 . . . . 160 THR HG21 . 26724 1 507 . 1 1 44 44 THR HG22 H 1 1.156 0.003 . 1 . . . . 160 THR HG22 . 26724 1 508 . 1 1 44 44 THR HG23 H 1 1.156 0.003 . 1 . . . . 160 THR HG23 . 26724 1 509 . 1 1 44 44 THR C C 13 176.582 0.024 . 1 . . . . 160 THR C . 26724 1 510 . 1 1 44 44 THR CA C 13 66.536 0.035 . 1 . . . . 160 THR CA . 26724 1 511 . 1 1 44 44 THR CB C 13 68.827 0.050 . 1 . . . . 160 THR CB . 26724 1 512 . 1 1 44 44 THR CG2 C 13 20.803 0.050 . 1 . . . . 160 THR CG2 . 26724 1 513 . 1 1 44 44 THR N N 15 116.197 0.011 . 1 . . . . 160 THR N . 26724 1 514 . 1 1 45 45 TYR H H 1 8.420 0.001 . 1 . . . . 161 TYR H . 26724 1 515 . 1 1 45 45 TYR HA H 1 4.208 0.002 . 1 . . . . 161 TYR HA . 26724 1 516 . 1 1 45 45 TYR HB2 H 1 3.052 0.003 . 1 . . . . 161 TYR HB2 . 26724 1 517 . 1 1 45 45 TYR HD1 H 1 6.911 0.002 . 1 . . . . 161 TYR HD1 . 26724 1 518 . 1 1 45 45 TYR HD2 H 1 6.911 0.002 . 1 . . . . 161 TYR HD2 . 26724 1 519 . 1 1 45 45 TYR HE1 H 1 6.442 0.006 . 1 . . . . 161 TYR HE1 . 26724 1 520 . 1 1 45 45 TYR HE2 H 1 6.442 0.006 . 1 . . . . 161 TYR HE2 . 26724 1 521 . 1 1 45 45 TYR C C 13 178.505 0.004 . 1 . . . . 161 TYR C . 26724 1 522 . 1 1 45 45 TYR CA C 13 61.101 0.018 . 1 . . . . 161 TYR CA . 26724 1 523 . 1 1 45 45 TYR CB C 13 36.687 0.021 . 1 . . . . 161 TYR CB . 26724 1 524 . 1 1 45 45 TYR CD1 C 13 132.174 0.103 . 1 . . . . 161 TYR CD1 . 26724 1 525 . 1 1 45 45 TYR CD2 C 13 132.174 0.103 . 1 . . . . 161 TYR CD2 . 26724 1 526 . 1 1 45 45 TYR CE1 C 13 117.308 0.049 . 1 . . . . 161 TYR CE1 . 26724 1 527 . 1 1 45 45 TYR CE2 C 13 117.308 0.049 . 1 . . . . 161 TYR CE2 . 26724 1 528 . 1 1 45 45 TYR N N 15 121.480 0.009 . 1 . . . . 161 TYR N . 26724 1 529 . 1 1 46 46 ALA H H 1 8.033 0.001 . 1 . . . . 162 ALA H . 26724 1 530 . 1 1 46 46 ALA HA H 1 4.032 0.002 . 1 . . . . 162 ALA HA . 26724 1 531 . 1 1 46 46 ALA HB1 H 1 1.625 0.002 . 1 . . . . 162 ALA HB1 . 26724 1 532 . 1 1 46 46 ALA HB2 H 1 1.625 0.002 . 1 . . . . 162 ALA HB2 . 26724 1 533 . 1 1 46 46 ALA HB3 H 1 1.625 0.002 . 1 . . . . 162 ALA HB3 . 26724 1 534 . 1 1 46 46 ALA C C 13 181.407 0.035 . 1 . . . . 162 ALA C . 26724 1 535 . 1 1 46 46 ALA CA C 13 55.392 0.017 . 1 . . . . 162 ALA CA . 26724 1 536 . 1 1 46 46 ALA CB C 13 17.836 0.048 . 1 . . . . 162 ALA CB . 26724 1 537 . 1 1 46 46 ALA N N 15 123.254 0.001 . 1 . . . . 162 ALA N . 26724 1 538 . 1 1 47 47 GLU H H 1 8.044 0.001 . 1 . . . . 163 GLU H . 26724 1 539 . 1 1 47 47 GLU HA H 1 4.126 0.003 . 1 . . . . 163 GLU HA . 26724 1 540 . 1 1 47 47 GLU HB2 H 1 2.187 0.002 . 1 . . . . 163 GLU HB2 . 26724 1 541 . 1 1 47 47 GLU HG2 H 1 2.386 0.001 . 1 . . . . 163 GLU HG2 . 26724 1 542 . 1 1 47 47 GLU C C 13 177.712 0.047 . 1 . . . . 163 GLU C . 26724 1 543 . 1 1 47 47 GLU CA C 13 58.342 0.058 . 1 . . . . 163 GLU CA . 26724 1 544 . 1 1 47 47 GLU CB C 13 29.354 0.006 . 1 . . . . 163 GLU CB . 26724 1 545 . 1 1 47 47 GLU CG C 13 36.258 0.040 . 1 . . . . 163 GLU CG . 26724 1 546 . 1 1 47 47 GLU N N 15 119.624 0.001 . 1 . . . . 163 GLU N . 26724 1 547 . 1 1 48 48 MET H H 1 7.528 0.001 . 1 . . . . 164 MET H . 26724 1 548 . 1 1 48 48 MET HA H 1 4.489 0.004 . 1 . . . . 164 MET HA . 26724 1 549 . 1 1 48 48 MET HB2 H 1 2.251 0.010 . 2 . . . . 164 MET HB2 . 26724 1 550 . 1 1 48 48 MET HB3 H 1 2.116 0.007 . 2 . . . . 164 MET HB3 . 26724 1 551 . 1 1 48 48 MET HG2 H 1 2.662 0.004 . 2 . . . . 164 MET HG2 . 26724 1 552 . 1 1 48 48 MET HG3 H 1 2.581 0.002 . 2 . . . . 164 MET HG3 . 26724 1 553 . 1 1 48 48 MET HE1 H 1 1.872 0.002 . 1 . . . . 164 MET HE1 . 26724 1 554 . 1 1 48 48 MET HE2 H 1 1.872 0.002 . 1 . . . . 164 MET HE2 . 26724 1 555 . 1 1 48 48 MET HE3 H 1 1.872 0.002 . 1 . . . . 164 MET HE3 . 26724 1 556 . 1 1 48 48 MET C C 13 176.078 0.008 . 1 . . . . 164 MET C . 26724 1 557 . 1 1 48 48 MET CA C 13 55.476 0.027 . 1 . . . . 164 MET CA . 26724 1 558 . 1 1 48 48 MET CB C 13 33.179 0.022 . 1 . . . . 164 MET CB . 26724 1 559 . 1 1 48 48 MET CG C 13 31.943 0.036 . 1 . . . . 164 MET CG . 26724 1 560 . 1 1 48 48 MET CE C 13 16.786 0.031 . 1 . . . . 164 MET CE . 26724 1 561 . 1 1 48 48 MET N N 15 115.918 0.016 . 1 . . . . 164 MET N . 26724 1 562 . 1 1 49 49 GLY H H 1 7.864 0.004 . 1 . . . . 165 GLY H . 26724 1 563 . 1 1 49 49 GLY HA2 H 1 4.266 0.011 . 2 . . . . 165 GLY HA2 . 26724 1 564 . 1 1 49 49 GLY HA3 H 1 3.832 0.009 . 2 . . . . 165 GLY HA3 . 26724 1 565 . 1 1 49 49 GLY C C 13 174.673 0.000 . 1 . . . . 165 GLY C . 26724 1 566 . 1 1 49 49 GLY CA C 13 45.506 0.028 . 1 . . . . 165 GLY CA . 26724 1 567 . 1 1 49 49 GLY N N 15 106.976 0.000 . 1 . . . . 165 GLY N . 26724 1 568 . 1 1 50 50 MET H H 1 8.088 0.000 . 1 . . . . 166 MET H . 26724 1 569 . 1 1 50 50 MET HA H 1 4.728 0.004 . 1 . . . . 166 MET HA . 26724 1 570 . 1 1 50 50 MET HB2 H 1 2.105 0.001 . 2 . . . . 166 MET HB2 . 26724 1 571 . 1 1 50 50 MET HB3 H 1 1.932 0.003 . 2 . . . . 166 MET HB3 . 26724 1 572 . 1 1 50 50 MET HG2 H 1 2.434 0.000 . 2 . . . . 166 MET HG2 . 26724 1 573 . 1 1 50 50 MET HG3 H 1 2.362 0.006 . 2 . . . . 166 MET HG3 . 26724 1 574 . 1 1 50 50 MET HE1 H 1 1.824 0.001 . 1 . . . . 166 MET HE1 . 26724 1 575 . 1 1 50 50 MET HE2 H 1 1.824 0.001 . 1 . . . . 166 MET HE2 . 26724 1 576 . 1 1 50 50 MET HE3 H 1 1.824 0.001 . 1 . . . . 166 MET HE3 . 26724 1 577 . 1 1 50 50 MET C C 13 175.817 0.060 . 1 . . . . 166 MET C . 26724 1 578 . 1 1 50 50 MET CA C 13 54.525 0.059 . 1 . . . . 166 MET CA . 26724 1 579 . 1 1 50 50 MET CB C 13 32.664 0.019 . 1 . . . . 166 MET CB . 26724 1 580 . 1 1 50 50 MET CG C 13 31.996 0.021 . 1 . . . . 166 MET CG . 26724 1 581 . 1 1 50 50 MET CE C 13 17.176 0.043 . 1 . . . . 166 MET CE . 26724 1 582 . 1 1 50 50 MET N N 15 121.040 0.025 . 1 . . . . 166 MET N . 26724 1 583 . 1 1 51 51 SER H H 1 8.238 0.001 . 1 . . . . 167 SER H . 26724 1 584 . 1 1 51 51 SER HA H 1 4.293 0.002 . 1 . . . . 167 SER HA . 26724 1 585 . 1 1 51 51 SER HB2 H 1 3.899 0.001 . 1 . . . . 167 SER HB2 . 26724 1 586 . 1 1 51 51 SER C C 13 174.276 0.102 . 1 . . . . 167 SER C . 26724 1 587 . 1 1 51 51 SER CA C 13 59.649 0.045 . 1 . . . . 167 SER CA . 26724 1 588 . 1 1 51 51 SER CB C 13 63.458 0.033 . 1 . . . . 167 SER CB . 26724 1 589 . 1 1 51 51 SER N N 15 116.850 0.015 . 1 . . . . 167 SER N . 26724 1 590 . 1 1 52 52 ASN H H 1 8.690 0.000 . 1 . . . . 168 ASN H . 26724 1 591 . 1 1 52 52 ASN HA H 1 4.638 0.003 . 1 . . . . 168 ASN HA . 26724 1 592 . 1 1 52 52 ASN HB2 H 1 2.713 0.004 . 2 . . . . 168 ASN HB2 . 26724 1 593 . 1 1 52 52 ASN HB3 H 1 2.844 0.006 . 2 . . . . 168 ASN HB3 . 26724 1 594 . 1 1 52 52 ASN HD21 H 1 7.569 0.001 . 1 . . . . 168 ASN HD21 . 26724 1 595 . 1 1 52 52 ASN HD22 H 1 6.865 0.001 . 1 . . . . 168 ASN HD22 . 26724 1 596 . 1 1 52 52 ASN C C 13 174.182 0.045 . 1 . . . . 168 ASN C . 26724 1 597 . 1 1 52 52 ASN CA C 13 53.229 0.016 . 1 . . . . 168 ASN CA . 26724 1 598 . 1 1 52 52 ASN CB C 13 37.873 0.017 . 1 . . . . 168 ASN CB . 26724 1 599 . 1 1 52 52 ASN N N 15 118.778 0.013 . 1 . . . . 168 ASN N . 26724 1 600 . 1 1 52 52 ASN ND2 N 15 113.025 0.001 . 1 . . . . 168 ASN ND2 . 26724 1 601 . 1 1 53 53 PHE H H 1 7.902 0.001 . 1 . . . . 169 PHE H . 26724 1 602 . 1 1 53 53 PHE HA H 1 4.555 0.001 . 1 . . . . 169 PHE HA . 26724 1 603 . 1 1 53 53 PHE HB2 H 1 2.950 0.005 . 2 . . . . 169 PHE HB2 . 26724 1 604 . 1 1 53 53 PHE HB3 H 1 2.881 0.003 . 2 . . . . 169 PHE HB3 . 26724 1 605 . 1 1 53 53 PHE HD1 H 1 6.874 0.003 . 1 . . . . 169 PHE HD1 . 26724 1 606 . 1 1 53 53 PHE HD2 H 1 6.874 0.003 . 1 . . . . 169 PHE HD2 . 26724 1 607 . 1 1 53 53 PHE HE1 H 1 6.951 0.004 . 1 . . . . 169 PHE HE1 . 26724 1 608 . 1 1 53 53 PHE HE2 H 1 6.951 0.004 . 1 . . . . 169 PHE HE2 . 26724 1 609 . 1 1 53 53 PHE HZ H 1 7.016 0.001 . 1 . . . . 169 PHE HZ . 26724 1 610 . 1 1 53 53 PHE C C 13 174.524 0.009 . 1 . . . . 169 PHE C . 26724 1 611 . 1 1 53 53 PHE CA C 13 57.583 0.030 . 1 . . . . 169 PHE CA . 26724 1 612 . 1 1 53 53 PHE CB C 13 40.518 0.049 . 1 . . . . 169 PHE CB . 26724 1 613 . 1 1 53 53 PHE CD1 C 13 131.511 0.083 . 1 . . . . 169 PHE CD1 . 26724 1 614 . 1 1 53 53 PHE CD2 C 13 131.511 0.083 . 1 . . . . 169 PHE CD2 . 26724 1 615 . 1 1 53 53 PHE CE1 C 13 130.796 0.106 . 1 . . . . 169 PHE CE1 . 26724 1 616 . 1 1 53 53 PHE CE2 C 13 130.796 0.106 . 1 . . . . 169 PHE CE2 . 26724 1 617 . 1 1 53 53 PHE CZ C 13 129.534 0.032 . 1 . . . . 169 PHE CZ . 26724 1 618 . 1 1 53 53 PHE N N 15 121.110 0.012 . 1 . . . . 169 PHE N . 26724 1 619 . 1 1 54 54 THR H H 1 7.942 0.003 . 1 . . . . 170 THR H . 26724 1 620 . 1 1 54 54 THR HA H 1 4.392 0.003 . 1 . . . . 170 THR HA . 26724 1 621 . 1 1 54 54 THR HB H 1 3.832 0.003 . 1 . . . . 170 THR HB . 26724 1 622 . 1 1 54 54 THR HG21 H 1 1.066 0.003 . 1 . . . . 170 THR HG21 . 26724 1 623 . 1 1 54 54 THR HG22 H 1 1.066 0.003 . 1 . . . . 170 THR HG22 . 26724 1 624 . 1 1 54 54 THR HG23 H 1 1.066 0.003 . 1 . . . . 170 THR HG23 . 26724 1 625 . 1 1 54 54 THR C C 13 171.451 0.000 . 1 . . . . 170 THR C . 26724 1 626 . 1 1 54 54 THR CA C 13 58.659 0.050 . 1 . . . . 170 THR CA . 26724 1 627 . 1 1 54 54 THR CB C 13 70.111 0.013 . 1 . . . . 170 THR CB . 26724 1 628 . 1 1 54 54 THR CG2 C 13 20.894 0.091 . 1 . . . . 170 THR CG2 . 26724 1 629 . 1 1 54 54 THR N N 15 122.640 0.000 . 1 . . . . 170 THR N . 26724 1 630 . 1 1 55 55 PRO HA H 1 4.434 0.002 . 1 . . . . 171 PRO HA . 26724 1 631 . 1 1 55 55 PRO HB2 H 1 1.839 0.007 . 2 . . . . 171 PRO HB2 . 26724 1 632 . 1 1 55 55 PRO HB3 H 1 2.053 0.010 . 2 . . . . 171 PRO HB3 . 26724 1 633 . 1 1 55 55 PRO HG2 H 1 1.782 0.012 . 2 . . . . 171 PRO HG2 . 26724 1 634 . 1 1 55 55 PRO HG3 H 1 2.045 0.004 . 2 . . . . 171 PRO HG3 . 26724 1 635 . 1 1 55 55 PRO HD2 H 1 3.321 0.001 . 2 . . . . 171 PRO HD2 . 26724 1 636 . 1 1 55 55 PRO HD3 H 1 3.664 0.004 . 2 . . . . 171 PRO HD3 . 26724 1 637 . 1 1 55 55 PRO C C 13 176.919 0.002 . 1 . . . . 171 PRO C . 26724 1 638 . 1 1 55 55 PRO CA C 13 62.089 0.012 . 1 . . . . 171 PRO CA . 26724 1 639 . 1 1 55 55 PRO CB C 13 32.123 0.077 . 1 . . . . 171 PRO CB . 26724 1 640 . 1 1 55 55 PRO CG C 13 26.963 0.053 . 1 . . . . 171 PRO CG . 26724 1 641 . 1 1 55 55 PRO CD C 13 50.618 0.015 . 1 . . . . 171 PRO CD . 26724 1 642 . 1 1 56 56 THR H H 1 9.481 0.002 . 1 . . . . 172 THR H . 26724 1 643 . 1 1 56 56 THR HA H 1 4.537 0.001 . 1 . . . . 172 THR HA . 26724 1 644 . 1 1 56 56 THR HB H 1 4.744 0.001 . 1 . . . . 172 THR HB . 26724 1 645 . 1 1 56 56 THR HG21 H 1 1.347 0.003 . 1 . . . . 172 THR HG21 . 26724 1 646 . 1 1 56 56 THR HG22 H 1 1.347 0.003 . 1 . . . . 172 THR HG22 . 26724 1 647 . 1 1 56 56 THR HG23 H 1 1.347 0.003 . 1 . . . . 172 THR HG23 . 26724 1 648 . 1 1 56 56 THR C C 13 175.739 0.006 . 1 . . . . 172 THR C . 26724 1 649 . 1 1 56 56 THR CA C 13 60.143 0.020 . 1 . . . . 172 THR CA . 26724 1 650 . 1 1 56 56 THR CB C 13 72.161 0.024 . 1 . . . . 172 THR CB . 26724 1 651 . 1 1 56 56 THR CG2 C 13 21.591 0.041 . 1 . . . . 172 THR CG2 . 26724 1 652 . 1 1 56 56 THR N N 15 115.441 0.002 . 1 . . . . 172 THR N . 26724 1 653 . 1 1 57 57 LYS H H 1 8.818 0.001 . 1 . . . . 173 LYS H . 26724 1 654 . 1 1 57 57 LYS HA H 1 3.991 0.005 . 1 . . . . 173 LYS HA . 26724 1 655 . 1 1 57 57 LYS HB2 H 1 1.921 0.008 . 2 . . . . 173 LYS HB2 . 26724 1 656 . 1 1 57 57 LYS HB3 H 1 1.843 0.009 . 2 . . . . 173 LYS HB3 . 26724 1 657 . 1 1 57 57 LYS HG2 H 1 1.567 0.008 . 2 . . . . 173 LYS HG2 . 26724 1 658 . 1 1 57 57 LYS HG3 H 1 1.504 0.006 . 2 . . . . 173 LYS HG3 . 26724 1 659 . 1 1 57 57 LYS HD2 H 1 1.725 0.006 . 1 . . . . 173 LYS HD2 . 26724 1 660 . 1 1 57 57 LYS HE2 H 1 3.032 0.005 . 1 . . . . 173 LYS HE2 . 26724 1 661 . 1 1 57 57 LYS C C 13 179.179 0.032 . 1 . . . . 173 LYS C . 26724 1 662 . 1 1 57 57 LYS CA C 13 59.576 0.041 . 1 . . . . 173 LYS CA . 26724 1 663 . 1 1 57 57 LYS CB C 13 31.878 0.036 . 1 . . . . 173 LYS CB . 26724 1 664 . 1 1 57 57 LYS CG C 13 24.987 0.022 . 1 . . . . 173 LYS CG . 26724 1 665 . 1 1 57 57 LYS CD C 13 29.047 0.033 . 1 . . . . 173 LYS CD . 26724 1 666 . 1 1 57 57 LYS CE C 13 41.862 0.022 . 1 . . . . 173 LYS CE . 26724 1 667 . 1 1 57 57 LYS N N 15 119.755 0.007 . 1 . . . . 173 LYS N . 26724 1 668 . 1 1 58 58 GLU H H 1 8.233 0.001 . 1 . . . . 174 GLU H . 26724 1 669 . 1 1 58 58 GLU HA H 1 4.079 0.003 . 1 . . . . 174 GLU HA . 26724 1 670 . 1 1 58 58 GLU HB2 H 1 1.966 0.008 . 2 . . . . 174 GLU HB2 . 26724 1 671 . 1 1 58 58 GLU HB3 H 1 2.035 0.005 . 2 . . . . 174 GLU HB3 . 26724 1 672 . 1 1 58 58 GLU HG2 H 1 2.393 0.005 . 2 . . . . 174 GLU HG2 . 26724 1 673 . 1 1 58 58 GLU HG3 H 1 2.292 0.006 . 2 . . . . 174 GLU HG3 . 26724 1 674 . 1 1 58 58 GLU C C 13 178.023 0.040 . 1 . . . . 174 GLU C . 26724 1 675 . 1 1 58 58 GLU CA C 13 59.803 0.008 . 1 . . . . 174 GLU CA . 26724 1 676 . 1 1 58 58 GLU CB C 13 28.990 0.063 . 1 . . . . 174 GLU CB . 26724 1 677 . 1 1 58 58 GLU CG C 13 36.689 0.028 . 1 . . . . 174 GLU CG . 26724 1 678 . 1 1 58 58 GLU N N 15 119.612 0.003 . 1 . . . . 174 GLU N . 26724 1 679 . 1 1 59 59 ASP H H 1 7.716 0.001 . 1 . . . . 175 ASP H . 26724 1 680 . 1 1 59 59 ASP HA H 1 4.437 0.002 . 1 . . . . 175 ASP HA . 26724 1 681 . 1 1 59 59 ASP HB2 H 1 2.990 0.002 . 2 . . . . 175 ASP HB2 . 26724 1 682 . 1 1 59 59 ASP HB3 H 1 2.699 0.001 . 2 . . . . 175 ASP HB3 . 26724 1 683 . 1 1 59 59 ASP C C 13 179.324 0.054 . 1 . . . . 175 ASP C . 26724 1 684 . 1 1 59 59 ASP CA C 13 57.856 0.027 . 1 . . . . 175 ASP CA . 26724 1 685 . 1 1 59 59 ASP CB C 13 41.124 0.076 . 1 . . . . 175 ASP CB . 26724 1 686 . 1 1 59 59 ASP N N 15 119.813 0.002 . 1 . . . . 175 ASP N . 26724 1 687 . 1 1 60 60 VAL H H 1 7.805 0.000 . 1 . . . . 176 VAL H . 26724 1 688 . 1 1 60 60 VAL HA H 1 3.496 0.004 . 1 . . . . 176 VAL HA . 26724 1 689 . 1 1 60 60 VAL HB H 1 2.229 0.002 . 1 . . . . 176 VAL HB . 26724 1 690 . 1 1 60 60 VAL HG11 H 1 1.020 0.003 . 2 . . . . 176 VAL HG11 . 26724 1 691 . 1 1 60 60 VAL HG12 H 1 1.020 0.003 . 2 . . . . 176 VAL HG12 . 26724 1 692 . 1 1 60 60 VAL HG13 H 1 1.020 0.003 . 2 . . . . 176 VAL HG13 . 26724 1 693 . 1 1 60 60 VAL HG21 H 1 0.918 0.003 . 2 . . . . 176 VAL HG21 . 26724 1 694 . 1 1 60 60 VAL HG22 H 1 0.918 0.003 . 2 . . . . 176 VAL HG22 . 26724 1 695 . 1 1 60 60 VAL HG23 H 1 0.918 0.003 . 2 . . . . 176 VAL HG23 . 26724 1 696 . 1 1 60 60 VAL C C 13 176.530 0.048 . 1 . . . . 176 VAL C . 26724 1 697 . 1 1 60 60 VAL CA C 13 66.859 0.039 . 1 . . . . 176 VAL CA . 26724 1 698 . 1 1 60 60 VAL CB C 13 31.699 0.001 . 1 . . . . 176 VAL CB . 26724 1 699 . 1 1 60 60 VAL CG1 C 13 20.902 0.032 . 2 . . . . 176 VAL CG1 . 26724 1 700 . 1 1 60 60 VAL CG2 C 13 22.456 0.029 . 2 . . . . 176 VAL CG2 . 26724 1 701 . 1 1 60 60 VAL N N 15 119.981 0.013 . 1 . . . . 176 VAL N . 26724 1 702 . 1 1 61 61 LYS H H 1 7.903 0.000 . 1 . . . . 177 LYS H . 26724 1 703 . 1 1 61 61 LYS HA H 1 4.060 0.006 . 1 . . . . 177 LYS HA . 26724 1 704 . 1 1 61 61 LYS HB2 H 1 2.000 0.006 . 1 . . . . 177 LYS HB2 . 26724 1 705 . 1 1 61 61 LYS HG2 H 1 1.613 0.002 . 2 . . . . 177 LYS HG2 . 26724 1 706 . 1 1 61 61 LYS HG3 H 1 1.469 0.001 . 2 . . . . 177 LYS HG3 . 26724 1 707 . 1 1 61 61 LYS HD2 H 1 1.724 0.005 . 1 . . . . 177 LYS HD2 . 26724 1 708 . 1 1 61 61 LYS HE2 H 1 2.965 0.002 . 1 . . . . 177 LYS HE2 . 26724 1 709 . 1 1 61 61 LYS C C 13 179.214 0.034 . 1 . . . . 177 LYS C . 26724 1 710 . 1 1 61 61 LYS CA C 13 59.676 0.026 . 1 . . . . 177 LYS CA . 26724 1 711 . 1 1 61 61 LYS CB C 13 32.344 0.083 . 1 . . . . 177 LYS CB . 26724 1 712 . 1 1 61 61 LYS CG C 13 24.848 0.035 . 1 . . . . 177 LYS CG . 26724 1 713 . 1 1 61 61 LYS CD C 13 29.009 0.067 . 1 . . . . 177 LYS CD . 26724 1 714 . 1 1 61 61 LYS CE C 13 41.814 0.009 . 1 . . . . 177 LYS CE . 26724 1 715 . 1 1 61 61 LYS N N 15 119.336 0.003 . 1 . . . . 177 LYS N . 26724 1 716 . 1 1 62 62 ILE H H 1 8.268 0.001 . 1 . . . . 178 ILE H . 26724 1 717 . 1 1 62 62 ILE HA H 1 3.806 0.005 . 1 . . . . 178 ILE HA . 26724 1 718 . 1 1 62 62 ILE HB H 1 2.032 0.007 . 1 . . . . 178 ILE HB . 26724 1 719 . 1 1 62 62 ILE HG12 H 1 1.768 0.007 . 2 . . . . 178 ILE HG12 . 26724 1 720 . 1 1 62 62 ILE HG13 H 1 1.290 0.006 . 2 . . . . 178 ILE HG13 . 26724 1 721 . 1 1 62 62 ILE HG21 H 1 1.005 0.007 . 1 . . . . 178 ILE HG21 . 26724 1 722 . 1 1 62 62 ILE HG22 H 1 1.005 0.007 . 1 . . . . 178 ILE HG22 . 26724 1 723 . 1 1 62 62 ILE HG23 H 1 1.005 0.007 . 1 . . . . 178 ILE HG23 . 26724 1 724 . 1 1 62 62 ILE HD11 H 1 0.908 0.004 . 1 . . . . 178 ILE HD11 . 26724 1 725 . 1 1 62 62 ILE HD12 H 1 0.908 0.004 . 1 . . . . 178 ILE HD12 . 26724 1 726 . 1 1 62 62 ILE HD13 H 1 0.908 0.004 . 1 . . . . 178 ILE HD13 . 26724 1 727 . 1 1 62 62 ILE C C 13 178.150 0.042 . 1 . . . . 178 ILE C . 26724 1 728 . 1 1 62 62 ILE CA C 13 64.486 0.051 . 1 . . . . 178 ILE CA . 26724 1 729 . 1 1 62 62 ILE CB C 13 38.092 0.033 . 1 . . . . 178 ILE CB . 26724 1 730 . 1 1 62 62 ILE CG1 C 13 29.440 0.064 . 1 . . . . 178 ILE CG1 . 26724 1 731 . 1 1 62 62 ILE CG2 C 13 17.236 0.026 . 1 . . . . 178 ILE CG2 . 26724 1 732 . 1 1 62 62 ILE CD1 C 13 12.899 0.021 . 1 . . . . 178 ILE CD1 . 26724 1 733 . 1 1 62 62 ILE N N 15 119.738 0.001 . 1 . . . . 178 ILE N . 26724 1 734 . 1 1 63 63 TRP H H 1 7.939 0.004 . 1 . . . . 179 TRP H . 26724 1 735 . 1 1 63 63 TRP HA H 1 4.163 0.005 . 1 . . . . 179 TRP HA . 26724 1 736 . 1 1 63 63 TRP HB2 H 1 3.398 0.009 . 2 . . . . 179 TRP HB2 . 26724 1 737 . 1 1 63 63 TRP HB3 H 1 3.320 0.006 . 2 . . . . 179 TRP HB3 . 26724 1 738 . 1 1 63 63 TRP HD1 H 1 7.311 0.003 . 1 . . . . 179 TRP HD1 . 26724 1 739 . 1 1 63 63 TRP HE1 H 1 10.160 0.001 . 1 . . . . 179 TRP HE1 . 26724 1 740 . 1 1 63 63 TRP HE3 H 1 7.245 0.005 . 1 . . . . 179 TRP HE3 . 26724 1 741 . 1 1 63 63 TRP HZ2 H 1 7.351 0.003 . 1 . . . . 179 TRP HZ2 . 26724 1 742 . 1 1 63 63 TRP HZ3 H 1 6.696 0.004 . 1 . . . . 179 TRP HZ3 . 26724 1 743 . 1 1 63 63 TRP HH2 H 1 6.707 0.004 . 1 . . . . 179 TRP HH2 . 26724 1 744 . 1 1 63 63 TRP C C 13 178.647 0.060 . 1 . . . . 179 TRP C . 26724 1 745 . 1 1 63 63 TRP CA C 13 62.931 0.020 . 1 . . . . 179 TRP CA . 26724 1 746 . 1 1 63 63 TRP CB C 13 29.695 0.040 . 1 . . . . 179 TRP CB . 26724 1 747 . 1 1 63 63 TRP CD1 C 13 127.875 0.022 . 1 . . . . 179 TRP CD1 . 26724 1 748 . 1 1 63 63 TRP CE3 C 13 120.066 0.092 . 1 . . . . 179 TRP CE3 . 26724 1 749 . 1 1 63 63 TRP CZ2 C 13 114.164 0.028 . 1 . . . . 179 TRP CZ2 . 26724 1 750 . 1 1 63 63 TRP CZ3 C 13 120.742 0.090 . 1 . . . . 179 TRP CZ3 . 26724 1 751 . 1 1 63 63 TRP CH2 C 13 122.363 0.033 . 1 . . . . 179 TRP CH2 . 26724 1 752 . 1 1 63 63 TRP N N 15 122.875 0.007 . 1 . . . . 179 TRP N . 26724 1 753 . 1 1 63 63 TRP NE1 N 15 128.968 0.004 . 1 . . . . 179 TRP NE1 . 26724 1 754 . 1 1 64 64 LEU H H 1 9.029 0.001 . 1 . . . . 180 LEU H . 26724 1 755 . 1 1 64 64 LEU HA H 1 3.838 0.004 . 1 . . . . 180 LEU HA . 26724 1 756 . 1 1 64 64 LEU HB2 H 1 2.037 0.001 . 2 . . . . 180 LEU HB2 . 26724 1 757 . 1 1 64 64 LEU HB3 H 1 1.881 0.002 . 2 . . . . 180 LEU HB3 . 26724 1 758 . 1 1 64 64 LEU HG H 1 1.735 0.003 . 1 . . . . 180 LEU HG . 26724 1 759 . 1 1 64 64 LEU HD11 H 1 0.933 0.005 . 2 . . . . 180 LEU HD11 . 26724 1 760 . 1 1 64 64 LEU HD12 H 1 0.933 0.005 . 2 . . . . 180 LEU HD12 . 26724 1 761 . 1 1 64 64 LEU HD13 H 1 0.933 0.005 . 2 . . . . 180 LEU HD13 . 26724 1 762 . 1 1 64 64 LEU HD21 H 1 0.903 0.003 . 2 . . . . 180 LEU HD21 . 26724 1 763 . 1 1 64 64 LEU HD22 H 1 0.903 0.003 . 2 . . . . 180 LEU HD22 . 26724 1 764 . 1 1 64 64 LEU HD23 H 1 0.903 0.003 . 2 . . . . 180 LEU HD23 . 26724 1 765 . 1 1 64 64 LEU C C 13 178.184 0.070 . 1 . . . . 180 LEU C . 26724 1 766 . 1 1 64 64 LEU CA C 13 59.250 0.079 . 1 . . . . 180 LEU CA . 26724 1 767 . 1 1 64 64 LEU CB C 13 42.386 0.038 . 1 . . . . 180 LEU CB . 26724 1 768 . 1 1 64 64 LEU CG C 13 27.708 0.044 . 1 . . . . 180 LEU CG . 26724 1 769 . 1 1 64 64 LEU CD1 C 13 25.262 0.014 . 2 . . . . 180 LEU CD1 . 26724 1 770 . 1 1 64 64 LEU CD2 C 13 24.951 0.000 . 2 . . . . 180 LEU CD2 . 26724 1 771 . 1 1 64 64 LEU N N 15 119.076 0.006 . 1 . . . . 180 LEU N . 26724 1 772 . 1 1 65 65 GLN H H 1 8.244 0.000 . 1 . . . . 181 GLN H . 26724 1 773 . 1 1 65 65 GLN HA H 1 3.986 0.005 . 1 . . . . 181 GLN HA . 26724 1 774 . 1 1 65 65 GLN HB2 H 1 2.233 0.003 . 2 . . . . 181 GLN HB2 . 26724 1 775 . 1 1 65 65 GLN HB3 H 1 2.119 0.003 . 2 . . . . 181 GLN HB3 . 26724 1 776 . 1 1 65 65 GLN HG2 H 1 2.423 0.004 . 2 . . . . 181 GLN HG2 . 26724 1 777 . 1 1 65 65 GLN HG3 H 1 2.615 0.002 . 2 . . . . 181 GLN HG3 . 26724 1 778 . 1 1 65 65 GLN HE21 H 1 7.451 0.001 . 1 . . . . 181 GLN HE21 . 26724 1 779 . 1 1 65 65 GLN HE22 H 1 6.803 0.000 . 1 . . . . 181 GLN HE22 . 26724 1 780 . 1 1 65 65 GLN C C 13 178.243 0.035 . 1 . . . . 181 GLN C . 26724 1 781 . 1 1 65 65 GLN CA C 13 58.607 0.024 . 1 . . . . 181 GLN CA . 26724 1 782 . 1 1 65 65 GLN CB C 13 28.159 0.061 . 1 . . . . 181 GLN CB . 26724 1 783 . 1 1 65 65 GLN CG C 13 34.385 0.040 . 1 . . . . 181 GLN CG . 26724 1 784 . 1 1 65 65 GLN N N 15 115.899 0.005 . 1 . . . . 181 GLN N . 26724 1 785 . 1 1 65 65 GLN NE2 N 15 110.942 0.002 . 1 . . . . 181 GLN NE2 . 26724 1 786 . 1 1 66 66 MET H H 1 7.504 0.001 . 1 . . . . 182 MET H . 26724 1 787 . 1 1 66 66 MET HA H 1 4.119 0.008 . 1 . . . . 182 MET HA . 26724 1 788 . 1 1 66 66 MET HB2 H 1 2.014 0.005 . 2 . . . . 182 MET HB2 . 26724 1 789 . 1 1 66 66 MET HB3 H 1 1.955 0.005 . 2 . . . . 182 MET HB3 . 26724 1 790 . 1 1 66 66 MET HG2 H 1 2.419 0.004 . 2 . . . . 182 MET HG2 . 26724 1 791 . 1 1 66 66 MET HG3 H 1 2.566 0.002 . 2 . . . . 182 MET HG3 . 26724 1 792 . 1 1 66 66 MET HE1 H 1 1.960 0.002 . 1 . . . . 182 MET HE1 . 26724 1 793 . 1 1 66 66 MET HE2 H 1 1.960 0.002 . 1 . . . . 182 MET HE2 . 26724 1 794 . 1 1 66 66 MET HE3 H 1 1.960 0.002 . 1 . . . . 182 MET HE3 . 26724 1 795 . 1 1 66 66 MET C C 13 176.960 0.004 . 1 . . . . 182 MET C . 26724 1 796 . 1 1 66 66 MET CA C 13 57.370 0.069 . 1 . . . . 182 MET CA . 26724 1 797 . 1 1 66 66 MET CB C 13 32.652 0.095 . 1 . . . . 182 MET CB . 26724 1 798 . 1 1 66 66 MET CG C 13 31.398 0.067 . 1 . . . . 182 MET CG . 26724 1 799 . 1 1 66 66 MET CE C 13 16.594 0.026 . 1 . . . . 182 MET CE . 26724 1 800 . 1 1 66 66 MET N N 15 116.437 0.006 . 1 . . . . 182 MET N . 26724 1 801 . 1 1 67 67 ALA H H 1 7.783 0.002 . 1 . . . . 183 ALA H . 26724 1 802 . 1 1 67 67 ALA HA H 1 4.059 0.006 . 1 . . . . 183 ALA HA . 26724 1 803 . 1 1 67 67 ALA HB1 H 1 0.626 0.005 . 1 . . . . 183 ALA HB1 . 26724 1 804 . 1 1 67 67 ALA HB2 H 1 0.626 0.005 . 1 . . . . 183 ALA HB2 . 26724 1 805 . 1 1 67 67 ALA HB3 H 1 0.626 0.005 . 1 . . . . 183 ALA HB3 . 26724 1 806 . 1 1 67 67 ALA C C 13 178.706 0.000 . 1 . . . . 183 ALA C . 26724 1 807 . 1 1 67 67 ALA CA C 13 52.846 0.037 . 1 . . . . 183 ALA CA . 26724 1 808 . 1 1 67 67 ALA CB C 13 20.689 0.035 . 1 . . . . 183 ALA CB . 26724 1 809 . 1 1 67 67 ALA N N 15 119.734 0.014 . 1 . . . . 183 ALA N . 26724 1 810 . 1 1 68 68 ASP H H 1 8.486 0.000 . 1 . . . . 184 ASP H . 26724 1 811 . 1 1 68 68 ASP HA H 1 4.708 0.004 . 1 . . . . 184 ASP HA . 26724 1 812 . 1 1 68 68 ASP HB2 H 1 2.379 0.003 . 2 . . . . 184 ASP HB2 . 26724 1 813 . 1 1 68 68 ASP HB3 H 1 2.982 0.004 . 2 . . . . 184 ASP HB3 . 26724 1 814 . 1 1 68 68 ASP C C 13 177.478 0.020 . 1 . . . . 184 ASP C . 26724 1 815 . 1 1 68 68 ASP CA C 13 53.080 0.037 . 1 . . . . 184 ASP CA . 26724 1 816 . 1 1 68 68 ASP CB C 13 39.563 0.073 . 1 . . . . 184 ASP CB . 26724 1 817 . 1 1 68 68 ASP N N 15 116.274 0.005 . 1 . . . . 184 ASP N . 26724 1 818 . 1 1 69 69 THR H H 1 8.356 0.001 . 1 . . . . 185 THR H . 26724 1 819 . 1 1 69 69 THR HA H 1 4.024 0.003 . 1 . . . . 185 THR HA . 26724 1 820 . 1 1 69 69 THR HB H 1 4.284 0.002 . 1 . . . . 185 THR HB . 26724 1 821 . 1 1 69 69 THR HG21 H 1 1.266 0.001 . 1 . . . . 185 THR HG21 . 26724 1 822 . 1 1 69 69 THR HG22 H 1 1.266 0.001 . 1 . . . . 185 THR HG22 . 26724 1 823 . 1 1 69 69 THR HG23 H 1 1.266 0.001 . 1 . . . . 185 THR HG23 . 26724 1 824 . 1 1 69 69 THR C C 13 176.152 0.011 . 1 . . . . 185 THR C . 26724 1 825 . 1 1 69 69 THR CA C 13 64.585 0.046 . 1 . . . . 185 THR CA . 26724 1 826 . 1 1 69 69 THR CB C 13 68.761 0.019 . 1 . . . . 185 THR CB . 26724 1 827 . 1 1 69 69 THR CG2 C 13 22.469 0.026 . 1 . . . . 185 THR CG2 . 26724 1 828 . 1 1 69 69 THR N N 15 120.827 0.030 . 1 . . . . 185 THR N . 26724 1 829 . 1 1 70 70 ASN H H 1 8.151 0.001 . 1 . . . . 186 ASN H . 26724 1 830 . 1 1 70 70 ASN HA H 1 4.914 0.001 . 1 . . . . 186 ASN HA . 26724 1 831 . 1 1 70 70 ASN HB2 H 1 3.305 0.003 . 2 . . . . 186 ASN HB2 . 26724 1 832 . 1 1 70 70 ASN HB3 H 1 2.897 0.005 . 2 . . . . 186 ASN HB3 . 26724 1 833 . 1 1 70 70 ASN HD21 H 1 7.934 0.001 . 1 . . . . 186 ASN HD21 . 26724 1 834 . 1 1 70 70 ASN HD22 H 1 6.559 0.001 . 1 . . . . 186 ASN HD22 . 26724 1 835 . 1 1 70 70 ASN C C 13 174.685 0.016 . 1 . . . . 186 ASN C . 26724 1 836 . 1 1 70 70 ASN CA C 13 51.614 0.003 . 1 . . . . 186 ASN CA . 26724 1 837 . 1 1 70 70 ASN CB C 13 36.913 0.025 . 1 . . . . 186 ASN CB . 26724 1 838 . 1 1 70 70 ASN N N 15 116.782 0.005 . 1 . . . . 186 ASN N . 26724 1 839 . 1 1 70 70 ASN ND2 N 15 112.243 0.002 . 1 . . . . 186 ASN ND2 . 26724 1 840 . 1 1 71 71 SER H H 1 7.757 0.001 . 1 . . . . 187 SER H . 26724 1 841 . 1 1 71 71 SER HA H 1 4.072 0.001 . 1 . . . . 187 SER HA . 26724 1 842 . 1 1 71 71 SER HB2 H 1 4.118 0.001 . 2 . . . . 187 SER HB2 . 26724 1 843 . 1 1 71 71 SER HB3 H 1 3.857 0.001 . 2 . . . . 187 SER HB3 . 26724 1 844 . 1 1 71 71 SER C C 13 174.092 0.004 . 1 . . . . 187 SER C . 26724 1 845 . 1 1 71 71 SER CA C 13 59.159 0.014 . 1 . . . . 187 SER CA . 26724 1 846 . 1 1 71 71 SER CB C 13 61.561 0.012 . 1 . . . . 187 SER CB . 26724 1 847 . 1 1 71 71 SER N N 15 112.577 0.006 . 1 . . . . 187 SER N . 26724 1 848 . 1 1 72 72 ASP H H 1 8.505 0.001 . 1 . . . . 188 ASP H . 26724 1 849 . 1 1 72 72 ASP HA H 1 4.738 0.001 . 1 . . . . 188 ASP HA . 26724 1 850 . 1 1 72 72 ASP HB2 H 1 2.412 0.002 . 2 . . . . 188 ASP HB2 . 26724 1 851 . 1 1 72 72 ASP HB3 H 1 3.125 0.003 . 2 . . . . 188 ASP HB3 . 26724 1 852 . 1 1 72 72 ASP C C 13 178.508 0.012 . 1 . . . . 188 ASP C . 26724 1 853 . 1 1 72 72 ASP CA C 13 52.600 0.001 . 1 . . . . 188 ASP CA . 26724 1 854 . 1 1 72 72 ASP CB C 13 40.690 0.055 . 1 . . . . 188 ASP CB . 26724 1 855 . 1 1 72 72 ASP N N 15 118.670 0.008 . 1 . . . . 188 ASP N . 26724 1 856 . 1 1 73 73 GLY H H 1 10.609 0.001 . 1 . . . . 189 GLY H . 26724 1 857 . 1 1 73 73 GLY HA2 H 1 4.301 0.003 . 2 . . . . 189 GLY HA2 . 26724 1 858 . 1 1 73 73 GLY HA3 H 1 3.528 0.002 . 2 . . . . 189 GLY HA3 . 26724 1 859 . 1 1 73 73 GLY C C 13 173.025 0.000 . 1 . . . . 189 GLY C . 26724 1 860 . 1 1 73 73 GLY CA C 13 45.596 0.026 . 1 . . . . 189 GLY CA . 26724 1 861 . 1 1 73 73 GLY N N 15 114.058 0.005 . 1 . . . . 189 GLY N . 26724 1 862 . 1 1 74 74 SER H H 1 8.101 0.002 . 1 . . . . 190 SER H . 26724 1 863 . 1 1 74 74 SER HA H 1 5.064 0.005 . 1 . . . . 190 SER HA . 26724 1 864 . 1 1 74 74 SER HB2 H 1 3.660 0.005 . 2 . . . . 190 SER HB2 . 26724 1 865 . 1 1 74 74 SER HB3 H 1 3.582 0.003 . 2 . . . . 190 SER HB3 . 26724 1 866 . 1 1 74 74 SER C C 13 173.301 0.028 . 1 . . . . 190 SER C . 26724 1 867 . 1 1 74 74 SER CA C 13 56.926 0.058 . 1 . . . . 190 SER CA . 26724 1 868 . 1 1 74 74 SER CB C 13 66.513 0.021 . 1 . . . . 190 SER CB . 26724 1 869 . 1 1 74 74 SER N N 15 113.432 0.019 . 1 . . . . 190 SER N . 26724 1 870 . 1 1 75 75 VAL H H 1 9.080 0.004 . 1 . . . . 191 VAL H . 26724 1 871 . 1 1 75 75 VAL HA H 1 5.302 0.005 . 1 . . . . 191 VAL HA . 26724 1 872 . 1 1 75 75 VAL HB H 1 2.203 0.005 . 1 . . . . 191 VAL HB . 26724 1 873 . 1 1 75 75 VAL HG11 H 1 1.284 0.006 . 2 . . . . 191 VAL HG11 . 26724 1 874 . 1 1 75 75 VAL HG12 H 1 1.284 0.006 . 2 . . . . 191 VAL HG12 . 26724 1 875 . 1 1 75 75 VAL HG13 H 1 1.284 0.006 . 2 . . . . 191 VAL HG13 . 26724 1 876 . 1 1 75 75 VAL HG21 H 1 1.045 0.005 . 2 . . . . 191 VAL HG21 . 26724 1 877 . 1 1 75 75 VAL HG22 H 1 1.045 0.005 . 2 . . . . 191 VAL HG22 . 26724 1 878 . 1 1 75 75 VAL HG23 H 1 1.045 0.005 . 2 . . . . 191 VAL HG23 . 26724 1 879 . 1 1 75 75 VAL C C 13 175.336 0.005 . 1 . . . . 191 VAL C . 26724 1 880 . 1 1 75 75 VAL CA C 13 61.367 0.064 . 1 . . . . 191 VAL CA . 26724 1 881 . 1 1 75 75 VAL CB C 13 34.311 0.010 . 1 . . . . 191 VAL CB . 26724 1 882 . 1 1 75 75 VAL CG1 C 13 21.169 0.024 . 2 . . . . 191 VAL CG1 . 26724 1 883 . 1 1 75 75 VAL CG2 C 13 23.187 0.028 . 2 . . . . 191 VAL CG2 . 26724 1 884 . 1 1 75 75 VAL N N 15 125.431 0.018 . 1 . . . . 191 VAL N . 26724 1 885 . 1 1 76 76 SER H H 1 9.617 0.005 . 1 . . . . 192 SER H . 26724 1 886 . 1 1 76 76 SER HA H 1 5.012 0.008 . 1 . . . . 192 SER HA . 26724 1 887 . 1 1 76 76 SER HB2 H 1 4.478 0.003 . 2 . . . . 192 SER HB2 . 26724 1 888 . 1 1 76 76 SER HB3 H 1 4.136 0.004 . 2 . . . . 192 SER HB3 . 26724 1 889 . 1 1 76 76 SER C C 13 174.512 0.083 . 1 . . . . 192 SER C . 26724 1 890 . 1 1 76 76 SER CA C 13 56.818 0.051 . 1 . . . . 192 SER CA . 26724 1 891 . 1 1 76 76 SER CB C 13 65.824 0.030 . 1 . . . . 192 SER CB . 26724 1 892 . 1 1 76 76 SER N N 15 126.668 0.003 . 1 . . . . 192 SER N . 26724 1 893 . 1 1 77 77 LEU H H 1 8.361 0.004 . 1 . . . . 193 LEU H . 26724 1 894 . 1 1 77 77 LEU HA H 1 3.337 0.004 . 1 . . . . 193 LEU HA . 26724 1 895 . 1 1 77 77 LEU HB2 H 1 1.466 0.002 . 2 . . . . 193 LEU HB2 . 26724 1 896 . 1 1 77 77 LEU HB3 H 1 0.487 0.003 . 2 . . . . 193 LEU HB3 . 26724 1 897 . 1 1 77 77 LEU HG H 1 1.392 0.007 . 1 . . . . 193 LEU HG . 26724 1 898 . 1 1 77 77 LEU HD11 H 1 0.685 0.006 . 2 . . . . 193 LEU HD11 . 26724 1 899 . 1 1 77 77 LEU HD12 H 1 0.685 0.006 . 2 . . . . 193 LEU HD12 . 26724 1 900 . 1 1 77 77 LEU HD13 H 1 0.685 0.006 . 2 . . . . 193 LEU HD13 . 26724 1 901 . 1 1 77 77 LEU HD21 H 1 0.800 0.003 . 2 . . . . 193 LEU HD21 . 26724 1 902 . 1 1 77 77 LEU HD22 H 1 0.800 0.003 . 2 . . . . 193 LEU HD22 . 26724 1 903 . 1 1 77 77 LEU HD23 H 1 0.800 0.003 . 2 . . . . 193 LEU HD23 . 26724 1 904 . 1 1 77 77 LEU C C 13 178.115 0.037 . 1 . . . . 193 LEU C . 26724 1 905 . 1 1 77 77 LEU CA C 13 58.483 0.023 . 1 . . . . 193 LEU CA . 26724 1 906 . 1 1 77 77 LEU CB C 13 40.100 0.021 . 1 . . . . 193 LEU CB . 26724 1 907 . 1 1 77 77 LEU CG C 13 26.475 0.057 . 1 . . . . 193 LEU CG . 26724 1 908 . 1 1 77 77 LEU CD1 C 13 22.632 0.074 . 2 . . . . 193 LEU CD1 . 26724 1 909 . 1 1 77 77 LEU CD2 C 13 25.899 0.014 . 2 . . . . 193 LEU CD2 . 26724 1 910 . 1 1 77 77 LEU N N 15 122.937 0.004 . 1 . . . . 193 LEU N . 26724 1 911 . 1 1 78 78 GLU H H 1 8.448 0.001 . 1 . . . . 194 GLU H . 26724 1 912 . 1 1 78 78 GLU HA H 1 4.019 0.004 . 1 . . . . 194 GLU HA . 26724 1 913 . 1 1 78 78 GLU HB2 H 1 2.010 0.004 . 1 . . . . 194 GLU HB2 . 26724 1 914 . 1 1 78 78 GLU HG2 H 1 2.318 0.008 . 1 . . . . 194 GLU HG2 . 26724 1 915 . 1 1 78 78 GLU C C 13 179.330 0.049 . 1 . . . . 194 GLU C . 26724 1 916 . 1 1 78 78 GLU CA C 13 60.091 0.016 . 1 . . . . 194 GLU CA . 26724 1 917 . 1 1 78 78 GLU CB C 13 28.994 0.006 . 1 . . . . 194 GLU CB . 26724 1 918 . 1 1 78 78 GLU CG C 13 36.869 0.000 . 1 . . . . 194 GLU CG . 26724 1 919 . 1 1 78 78 GLU N N 15 117.848 0.012 . 1 . . . . 194 GLU N . 26724 1 920 . 1 1 79 79 GLU H H 1 7.820 0.001 . 1 . . . . 195 GLU H . 26724 1 921 . 1 1 79 79 GLU HA H 1 4.182 0.002 . 1 . . . . 195 GLU HA . 26724 1 922 . 1 1 79 79 GLU HB2 H 1 2.625 0.014 . 2 . . . . 195 GLU HB2 . 26724 1 923 . 1 1 79 79 GLU HB3 H 1 2.392 0.006 . 2 . . . . 195 GLU HB3 . 26724 1 924 . 1 1 79 79 GLU HG2 H 1 2.645 0.003 . 2 . . . . 195 GLU HG2 . 26724 1 925 . 1 1 79 79 GLU HG3 H 1 2.538 0.006 . 2 . . . . 195 GLU HG3 . 26724 1 926 . 1 1 79 79 GLU C C 13 180.238 0.013 . 1 . . . . 195 GLU C . 26724 1 927 . 1 1 79 79 GLU CA C 13 58.560 0.064 . 1 . . . . 195 GLU CA . 26724 1 928 . 1 1 79 79 GLU CB C 13 29.309 0.027 . 1 . . . . 195 GLU CB . 26724 1 929 . 1 1 79 79 GLU CG C 13 37.160 0.032 . 1 . . . . 195 GLU CG . 26724 1 930 . 1 1 79 79 GLU N N 15 119.296 0.006 . 1 . . . . 195 GLU N . 26724 1 931 . 1 1 80 80 TYR H H 1 8.702 0.004 . 1 . . . . 196 TYR H . 26724 1 932 . 1 1 80 80 TYR HA H 1 4.481 0.010 . 1 . . . . 196 TYR HA . 26724 1 933 . 1 1 80 80 TYR HB2 H 1 3.327 0.006 . 1 . . . . 196 TYR HB2 . 26724 1 934 . 1 1 80 80 TYR HD1 H 1 7.217 0.010 . 1 . . . . 196 TYR HD1 . 26724 1 935 . 1 1 80 80 TYR HD2 H 1 7.217 0.010 . 1 . . . . 196 TYR HD2 . 26724 1 936 . 1 1 80 80 TYR HE1 H 1 7.222 0.005 . 1 . . . . 196 TYR HE1 . 26724 1 937 . 1 1 80 80 TYR HE2 H 1 7.222 0.005 . 1 . . . . 196 TYR HE2 . 26724 1 938 . 1 1 80 80 TYR C C 13 176.828 0.005 . 1 . . . . 196 TYR C . 26724 1 939 . 1 1 80 80 TYR CA C 13 60.277 0.053 . 1 . . . . 196 TYR CA . 26724 1 940 . 1 1 80 80 TYR CB C 13 38.763 0.025 . 1 . . . . 196 TYR CB . 26724 1 941 . 1 1 80 80 TYR CD1 C 13 131.997 0.037 . 1 . . . . 196 TYR CD1 . 26724 1 942 . 1 1 80 80 TYR CD2 C 13 131.997 0.037 . 1 . . . . 196 TYR CD2 . 26724 1 943 . 1 1 80 80 TYR CE1 C 13 118.688 0.041 . 1 . . . . 196 TYR CE1 . 26724 1 944 . 1 1 80 80 TYR CE2 C 13 118.688 0.041 . 1 . . . . 196 TYR CE2 . 26724 1 945 . 1 1 80 80 TYR N N 15 123.746 0.020 . 1 . . . . 196 TYR N . 26724 1 946 . 1 1 81 81 GLU H H 1 9.139 0.002 . 1 . . . . 197 GLU H . 26724 1 947 . 1 1 81 81 GLU HA H 1 3.384 0.006 . 1 . . . . 197 GLU HA . 26724 1 948 . 1 1 81 81 GLU HB2 H 1 1.900 0.004 . 2 . . . . 197 GLU HB2 . 26724 1 949 . 1 1 81 81 GLU HB3 H 1 2.186 0.009 . 2 . . . . 197 GLU HB3 . 26724 1 950 . 1 1 81 81 GLU HG2 H 1 2.675 0.002 . 2 . . . . 197 GLU HG2 . 26724 1 951 . 1 1 81 81 GLU HG3 H 1 1.813 0.006 . 2 . . . . 197 GLU HG3 . 26724 1 952 . 1 1 81 81 GLU C C 13 178.376 0.037 . 1 . . . . 197 GLU C . 26724 1 953 . 1 1 81 81 GLU CA C 13 60.583 0.052 . 1 . . . . 197 GLU CA . 26724 1 954 . 1 1 81 81 GLU CB C 13 29.735 0.045 . 1 . . . . 197 GLU CB . 26724 1 955 . 1 1 81 81 GLU CG C 13 37.237 0.023 . 1 . . . . 197 GLU CG . 26724 1 956 . 1 1 81 81 GLU N N 15 118.092 0.002 . 1 . . . . 197 GLU N . 26724 1 957 . 1 1 82 82 ASP H H 1 8.038 0.001 . 1 . . . . 198 ASP H . 26724 1 958 . 1 1 82 82 ASP HA H 1 4.336 0.003 . 1 . . . . 198 ASP HA . 26724 1 959 . 1 1 82 82 ASP HB2 H 1 2.807 0.002 . 2 . . . . 198 ASP HB2 . 26724 1 960 . 1 1 82 82 ASP HB3 H 1 2.591 0.004 . 2 . . . . 198 ASP HB3 . 26724 1 961 . 1 1 82 82 ASP C C 13 178.279 0.011 . 1 . . . . 198 ASP C . 26724 1 962 . 1 1 82 82 ASP CA C 13 57.376 0.039 . 1 . . . . 198 ASP CA . 26724 1 963 . 1 1 82 82 ASP CB C 13 41.062 0.024 . 1 . . . . 198 ASP CB . 26724 1 964 . 1 1 82 82 ASP N N 15 116.914 0.004 . 1 . . . . 198 ASP N . 26724 1 965 . 1 1 83 83 LEU H H 1 7.694 0.001 . 1 . . . . 199 LEU H . 26724 1 966 . 1 1 83 83 LEU HA H 1 4.033 0.006 . 1 . . . . 199 LEU HA . 26724 1 967 . 1 1 83 83 LEU HB2 H 1 2.127 0.003 . 2 . . . . 199 LEU HB2 . 26724 1 968 . 1 1 83 83 LEU HB3 H 1 1.638 0.003 . 2 . . . . 199 LEU HB3 . 26724 1 969 . 1 1 83 83 LEU HG H 1 1.604 0.006 . 1 . . . . 199 LEU HG . 26724 1 970 . 1 1 83 83 LEU HD11 H 1 0.698 0.003 . 2 . . . . 199 LEU HD11 . 26724 1 971 . 1 1 83 83 LEU HD12 H 1 0.698 0.003 . 2 . . . . 199 LEU HD12 . 26724 1 972 . 1 1 83 83 LEU HD13 H 1 0.698 0.003 . 2 . . . . 199 LEU HD13 . 26724 1 973 . 1 1 83 83 LEU HD21 H 1 0.770 0.004 . 2 . . . . 199 LEU HD21 . 26724 1 974 . 1 1 83 83 LEU HD22 H 1 0.770 0.004 . 2 . . . . 199 LEU HD22 . 26724 1 975 . 1 1 83 83 LEU HD23 H 1 0.770 0.004 . 2 . . . . 199 LEU HD23 . 26724 1 976 . 1 1 83 83 LEU C C 13 179.873 0.003 . 1 . . . . 199 LEU C . 26724 1 977 . 1 1 83 83 LEU CA C 13 58.221 0.108 . 1 . . . . 199 LEU CA . 26724 1 978 . 1 1 83 83 LEU CB C 13 41.735 0.053 . 1 . . . . 199 LEU CB . 26724 1 979 . 1 1 83 83 LEU CG C 13 26.572 0.032 . 1 . . . . 199 LEU CG . 26724 1 980 . 1 1 83 83 LEU CD1 C 13 24.564 0.071 . 2 . . . . 199 LEU CD1 . 26724 1 981 . 1 1 83 83 LEU CD2 C 13 25.985 0.039 . 2 . . . . 199 LEU CD2 . 26724 1 982 . 1 1 83 83 LEU N N 15 120.922 0.004 . 1 . . . . 199 LEU N . 26724 1 983 . 1 1 84 84 ILE H H 1 8.058 0.000 . 1 . . . . 200 ILE H . 26724 1 984 . 1 1 84 84 ILE HA H 1 3.611 0.004 . 1 . . . . 200 ILE HA . 26724 1 985 . 1 1 84 84 ILE HB H 1 2.061 0.003 . 1 . . . . 200 ILE HB . 26724 1 986 . 1 1 84 84 ILE HG12 H 1 1.250 0.006 . 2 . . . . 200 ILE HG12 . 26724 1 987 . 1 1 84 84 ILE HG13 H 1 0.850 0.005 . 2 . . . . 200 ILE HG13 . 26724 1 988 . 1 1 84 84 ILE HG21 H 1 0.629 0.004 . 1 . . . . 200 ILE HG21 . 26724 1 989 . 1 1 84 84 ILE HG22 H 1 0.629 0.004 . 1 . . . . 200 ILE HG22 . 26724 1 990 . 1 1 84 84 ILE HG23 H 1 0.629 0.004 . 1 . . . . 200 ILE HG23 . 26724 1 991 . 1 1 84 84 ILE HD11 H 1 0.473 0.003 . 1 . . . . 200 ILE HD11 . 26724 1 992 . 1 1 84 84 ILE HD12 H 1 0.473 0.003 . 1 . . . . 200 ILE HD12 . 26724 1 993 . 1 1 84 84 ILE HD13 H 1 0.473 0.003 . 1 . . . . 200 ILE HD13 . 26724 1 994 . 1 1 84 84 ILE C C 13 179.043 0.040 . 1 . . . . 200 ILE C . 26724 1 995 . 1 1 84 84 ILE CA C 13 62.667 0.041 . 1 . . . . 200 ILE CA . 26724 1 996 . 1 1 84 84 ILE CB C 13 35.277 0.026 . 1 . . . . 200 ILE CB . 26724 1 997 . 1 1 84 84 ILE CG1 C 13 26.992 0.048 . 1 . . . . 200 ILE CG1 . 26724 1 998 . 1 1 84 84 ILE CG2 C 13 16.974 0.044 . 1 . . . . 200 ILE CG2 . 26724 1 999 . 1 1 84 84 ILE CD1 C 13 9.415 0.034 . 1 . . . . 200 ILE CD1 . 26724 1 1000 . 1 1 84 84 ILE N N 15 122.040 0.016 . 1 . . . . 200 ILE N . 26724 1 1001 . 1 1 85 85 ILE H H 1 8.461 0.001 . 1 . . . . 201 ILE H . 26724 1 1002 . 1 1 85 85 ILE HA H 1 3.413 0.002 . 1 . . . . 201 ILE HA . 26724 1 1003 . 1 1 85 85 ILE HB H 1 2.033 0.004 . 1 . . . . 201 ILE HB . 26724 1 1004 . 1 1 85 85 ILE HG12 H 1 1.468 0.003 . 2 . . . . 201 ILE HG12 . 26724 1 1005 . 1 1 85 85 ILE HG13 H 1 0.968 0.003 . 2 . . . . 201 ILE HG13 . 26724 1 1006 . 1 1 85 85 ILE HG21 H 1 0.749 0.005 . 1 . . . . 201 ILE HG21 . 26724 1 1007 . 1 1 85 85 ILE HG22 H 1 0.749 0.005 . 1 . . . . 201 ILE HG22 . 26724 1 1008 . 1 1 85 85 ILE HG23 H 1 0.749 0.005 . 1 . . . . 201 ILE HG23 . 26724 1 1009 . 1 1 85 85 ILE HD11 H 1 0.349 0.003 . 1 . . . . 201 ILE HD11 . 26724 1 1010 . 1 1 85 85 ILE HD12 H 1 0.349 0.003 . 1 . . . . 201 ILE HD12 . 26724 1 1011 . 1 1 85 85 ILE HD13 H 1 0.349 0.003 . 1 . . . . 201 ILE HD13 . 26724 1 1012 . 1 1 85 85 ILE C C 13 178.261 0.021 . 1 . . . . 201 ILE C . 26724 1 1013 . 1 1 85 85 ILE CA C 13 64.748 0.022 . 1 . . . . 201 ILE CA . 26724 1 1014 . 1 1 85 85 ILE CB C 13 36.657 0.024 . 1 . . . . 201 ILE CB . 26724 1 1015 . 1 1 85 85 ILE CG1 C 13 28.445 0.040 . 1 . . . . 201 ILE CG1 . 26724 1 1016 . 1 1 85 85 ILE CG2 C 13 17.240 0.061 . 1 . . . . 201 ILE CG2 . 26724 1 1017 . 1 1 85 85 ILE CD1 C 13 11.607 0.032 . 1 . . . . 201 ILE CD1 . 26724 1 1018 . 1 1 85 85 ILE N N 15 121.494 0.011 . 1 . . . . 201 ILE N . 26724 1 1019 . 1 1 86 86 LYS H H 1 8.350 0.001 . 1 . . . . 202 LYS H . 26724 1 1020 . 1 1 86 86 LYS HA H 1 4.163 0.007 . 1 . . . . 202 LYS HA . 26724 1 1021 . 1 1 86 86 LYS HB2 H 1 1.944 0.003 . 2 . . . . 202 LYS HB2 . 26724 1 1022 . 1 1 86 86 LYS HB3 H 1 1.807 0.004 . 2 . . . . 202 LYS HB3 . 26724 1 1023 . 1 1 86 86 LYS HG2 H 1 1.638 0.008 . 2 . . . . 202 LYS HG2 . 26724 1 1024 . 1 1 86 86 LYS HG3 H 1 1.479 0.004 . 2 . . . . 202 LYS HG3 . 26724 1 1025 . 1 1 86 86 LYS HD2 H 1 1.662 0.009 . 1 . . . . 202 LYS HD2 . 26724 1 1026 . 1 1 86 86 LYS HE2 H 1 2.946 0.005 . 1 . . . . 202 LYS HE2 . 26724 1 1027 . 1 1 86 86 LYS C C 13 179.920 0.010 . 1 . . . . 202 LYS C . 26724 1 1028 . 1 1 86 86 LYS CA C 13 59.542 0.066 . 1 . . . . 202 LYS CA . 26724 1 1029 . 1 1 86 86 LYS CB C 13 32.315 0.058 . 1 . . . . 202 LYS CB . 26724 1 1030 . 1 1 86 86 LYS CG C 13 26.096 0.052 . 1 . . . . 202 LYS CG . 26724 1 1031 . 1 1 86 86 LYS CD C 13 29.002 0.020 . 1 . . . . 202 LYS CD . 26724 1 1032 . 1 1 86 86 LYS CE C 13 41.970 0.013 . 1 . . . . 202 LYS CE . 26724 1 1033 . 1 1 86 86 LYS N N 15 119.357 0.005 . 1 . . . . 202 LYS N . 26724 1 1034 . 1 1 87 87 SER H H 1 8.123 0.001 . 1 . . . . 203 SER H . 26724 1 1035 . 1 1 87 87 SER HA H 1 4.211 0.005 . 1 . . . . 203 SER HA . 26724 1 1036 . 1 1 87 87 SER HB2 H 1 4.065 0.005 . 2 . . . . 203 SER HB2 . 26724 1 1037 . 1 1 87 87 SER HB3 H 1 3.962 0.007 . 2 . . . . 203 SER HB3 . 26724 1 1038 . 1 1 87 87 SER C C 13 176.727 0.000 . 1 . . . . 203 SER C . 26724 1 1039 . 1 1 87 87 SER CA C 13 61.849 0.056 . 1 . . . . 203 SER CA . 26724 1 1040 . 1 1 87 87 SER CB C 13 62.625 0.052 . 1 . . . . 203 SER CB . 26724 1 1041 . 1 1 87 87 SER N N 15 116.288 0.003 . 1 . . . . 203 SER N . 26724 1 1042 . 1 1 88 88 LEU H H 1 8.139 0.001 . 1 . . . . 204 LEU H . 26724 1 1043 . 1 1 88 88 LEU HA H 1 4.075 0.007 . 1 . . . . 204 LEU HA . 26724 1 1044 . 1 1 88 88 LEU HB2 H 1 1.969 0.002 . 2 . . . . 204 LEU HB2 . 26724 1 1045 . 1 1 88 88 LEU HB3 H 1 1.184 0.004 . 2 . . . . 204 LEU HB3 . 26724 1 1046 . 1 1 88 88 LEU HG H 1 1.958 0.003 . 1 . . . . 204 LEU HG . 26724 1 1047 . 1 1 88 88 LEU HD11 H 1 0.772 0.005 . 2 . . . . 204 LEU HD11 . 26724 1 1048 . 1 1 88 88 LEU HD12 H 1 0.772 0.005 . 2 . . . . 204 LEU HD12 . 26724 1 1049 . 1 1 88 88 LEU HD13 H 1 0.772 0.005 . 2 . . . . 204 LEU HD13 . 26724 1 1050 . 1 1 88 88 LEU HD21 H 1 0.741 0.007 . 2 . . . . 204 LEU HD21 . 26724 1 1051 . 1 1 88 88 LEU HD22 H 1 0.741 0.007 . 2 . . . . 204 LEU HD22 . 26724 1 1052 . 1 1 88 88 LEU HD23 H 1 0.741 0.007 . 2 . . . . 204 LEU HD23 . 26724 1 1053 . 1 1 88 88 LEU C C 13 178.801 0.051 . 1 . . . . 204 LEU C . 26724 1 1054 . 1 1 88 88 LEU CA C 13 57.645 0.004 . 1 . . . . 204 LEU CA . 26724 1 1055 . 1 1 88 88 LEU CB C 13 40.849 0.015 . 1 . . . . 204 LEU CB . 26724 1 1056 . 1 1 88 88 LEU CG C 13 26.239 0.041 . 1 . . . . 204 LEU CG . 26724 1 1057 . 1 1 88 88 LEU CD1 C 13 22.644 0.011 . 2 . . . . 204 LEU CD1 . 26724 1 1058 . 1 1 88 88 LEU CD2 C 13 26.958 0.051 . 2 . . . . 204 LEU CD2 . 26724 1 1059 . 1 1 88 88 LEU N N 15 124.446 0.020 . 1 . . . . 204 LEU N . 26724 1 1060 . 1 1 89 89 GLN H H 1 8.293 0.001 . 1 . . . . 205 GLN H . 26724 1 1061 . 1 1 89 89 GLN HA H 1 4.244 0.001 . 1 . . . . 205 GLN HA . 26724 1 1062 . 1 1 89 89 GLN HB2 H 1 2.058 0.002 . 2 . . . . 205 GLN HB2 . 26724 1 1063 . 1 1 89 89 GLN HB3 H 1 2.283 0.001 . 2 . . . . 205 GLN HB3 . 26724 1 1064 . 1 1 89 89 GLN HG2 H 1 2.605 0.001 . 2 . . . . 205 GLN HG2 . 26724 1 1065 . 1 1 89 89 GLN HG3 H 1 2.378 0.002 . 2 . . . . 205 GLN HG3 . 26724 1 1066 . 1 1 89 89 GLN HE21 H 1 7.414 0.000 . 1 . . . . 205 GLN HE21 . 26724 1 1067 . 1 1 89 89 GLN HE22 H 1 6.811 0.000 . 1 . . . . 205 GLN HE22 . 26724 1 1068 . 1 1 89 89 GLN C C 13 180.584 0.021 . 1 . . . . 205 GLN C . 26724 1 1069 . 1 1 89 89 GLN CA C 13 58.824 0.015 . 1 . . . . 205 GLN CA . 26724 1 1070 . 1 1 89 89 GLN CB C 13 28.702 0.049 . 1 . . . . 205 GLN CB . 26724 1 1071 . 1 1 89 89 GLN CG C 13 34.786 0.053 . 1 . . . . 205 GLN CG . 26724 1 1072 . 1 1 89 89 GLN N N 15 118.754 0.016 . 1 . . . . 205 GLN N . 26724 1 1073 . 1 1 89 89 GLN NE2 N 15 111.363 0.004 . 1 . . . . 205 GLN NE2 . 26724 1 1074 . 1 1 90 90 LYS H H 1 8.159 0.001 . 1 . . . . 206 LYS H . 26724 1 1075 . 1 1 90 90 LYS HA H 1 4.114 0.001 . 1 . . . . 206 LYS HA . 26724 1 1076 . 1 1 90 90 LYS HB2 H 1 1.942 0.003 . 1 . . . . 206 LYS HB2 . 26724 1 1077 . 1 1 90 90 LYS HG2 H 1 1.522 0.004 . 1 . . . . 206 LYS HG2 . 26724 1 1078 . 1 1 90 90 LYS HD2 H 1 1.700 0.006 . 1 . . . . 206 LYS HD2 . 26724 1 1079 . 1 1 90 90 LYS HE2 H 1 2.946 0.000 . 1 . . . . 206 LYS HE2 . 26724 1 1080 . 1 1 90 90 LYS C C 13 177.085 0.000 . 1 . . . . 206 LYS C . 26724 1 1081 . 1 1 90 90 LYS CA C 13 58.197 0.015 . 1 . . . . 206 LYS CA . 26724 1 1082 . 1 1 90 90 LYS CB C 13 32.199 0.084 . 1 . . . . 206 LYS CB . 26724 1 1083 . 1 1 90 90 LYS CE C 13 41.695 0.000 . 1 . . . . 206 LYS CE . 26724 1 1084 . 1 1 90 90 LYS N N 15 120.960 0.008 . 1 . . . . 206 LYS N . 26724 1 1085 . 1 1 91 91 ALA H H 1 7.515 0.007 . 1 . . . . 207 ALA H . 26724 1 1086 . 1 1 91 91 ALA HA H 1 4.376 0.006 . 1 . . . . 207 ALA HA . 26724 1 1087 . 1 1 91 91 ALA HB1 H 1 1.524 0.004 . 1 . . . . 207 ALA HB1 . 26724 1 1088 . 1 1 91 91 ALA HB2 H 1 1.524 0.004 . 1 . . . . 207 ALA HB2 . 26724 1 1089 . 1 1 91 91 ALA HB3 H 1 1.524 0.004 . 1 . . . . 207 ALA HB3 . 26724 1 1090 . 1 1 91 91 ALA C C 13 177.304 0.049 . 1 . . . . 207 ALA C . 26724 1 1091 . 1 1 91 91 ALA CA C 13 52.071 0.035 . 1 . . . . 207 ALA CA . 26724 1 1092 . 1 1 91 91 ALA CB C 13 18.618 0.047 . 1 . . . . 207 ALA CB . 26724 1 1093 . 1 1 91 91 ALA N N 15 120.415 0.030 . 1 . . . . 207 ALA N . 26724 1 1094 . 1 1 92 92 GLY H H 1 7.872 0.002 . 1 . . . . 208 GLY H . 26724 1 1095 . 1 1 92 92 GLY HA2 H 1 3.724 0.003 . 2 . . . . 208 GLY HA2 . 26724 1 1096 . 1 1 92 92 GLY HA3 H 1 4.168 0.009 . 2 . . . . 208 GLY HA3 . 26724 1 1097 . 1 1 92 92 GLY C C 13 174.098 0.000 . 1 . . . . 208 GLY C . 26724 1 1098 . 1 1 92 92 GLY CA C 13 45.289 0.008 . 1 . . . . 208 GLY CA . 26724 1 1099 . 1 1 92 92 GLY N N 15 106.362 0.000 . 1 . . . . 208 GLY N . 26724 1 1100 . 1 1 93 93 ILE H H 1 7.736 0.004 . 1 . . . . 209 ILE H . 26724 1 1101 . 1 1 93 93 ILE HA H 1 3.964 0.006 . 1 . . . . 209 ILE HA . 26724 1 1102 . 1 1 93 93 ILE HB H 1 1.657 0.006 . 1 . . . . 209 ILE HB . 26724 1 1103 . 1 1 93 93 ILE HG12 H 1 1.206 0.002 . 2 . . . . 209 ILE HG12 . 26724 1 1104 . 1 1 93 93 ILE HG13 H 1 1.275 0.001 . 2 . . . . 209 ILE HG13 . 26724 1 1105 . 1 1 93 93 ILE HG21 H 1 0.731 0.007 . 1 . . . . 209 ILE HG21 . 26724 1 1106 . 1 1 93 93 ILE HG22 H 1 0.731 0.007 . 1 . . . . 209 ILE HG22 . 26724 1 1107 . 1 1 93 93 ILE HG23 H 1 0.731 0.007 . 1 . . . . 209 ILE HG23 . 26724 1 1108 . 1 1 93 93 ILE HD11 H 1 0.708 0.006 . 1 . . . . 209 ILE HD11 . 26724 1 1109 . 1 1 93 93 ILE HD12 H 1 0.708 0.006 . 1 . . . . 209 ILE HD12 . 26724 1 1110 . 1 1 93 93 ILE HD13 H 1 0.708 0.006 . 1 . . . . 209 ILE HD13 . 26724 1 1111 . 1 1 93 93 ILE C C 13 175.406 0.033 . 1 . . . . 209 ILE C . 26724 1 1112 . 1 1 93 93 ILE CA C 13 59.739 0.052 . 1 . . . . 209 ILE CA . 26724 1 1113 . 1 1 93 93 ILE CB C 13 37.391 0.019 . 1 . . . . 209 ILE CB . 26724 1 1114 . 1 1 93 93 ILE CG1 C 13 27.948 0.005 . 1 . . . . 209 ILE CG1 . 26724 1 1115 . 1 1 93 93 ILE CG2 C 13 17.119 0.057 . 1 . . . . 209 ILE CG2 . 26724 1 1116 . 1 1 93 93 ILE CD1 C 13 11.932 0.032 . 1 . . . . 209 ILE CD1 . 26724 1 1117 . 1 1 93 93 ILE N N 15 122.351 0.020 . 1 . . . . 209 ILE N . 26724 1 1118 . 1 1 94 94 ARG H H 1 8.396 0.001 . 1 . . . . 210 ARG H . 26724 1 1119 . 1 1 94 94 ARG HA H 1 4.250 0.002 . 1 . . . . 210 ARG HA . 26724 1 1120 . 1 1 94 94 ARG HB2 H 1 1.798 0.009 . 2 . . . . 210 ARG HB2 . 26724 1 1121 . 1 1 94 94 ARG HB3 H 1 1.845 0.003 . 2 . . . . 210 ARG HB3 . 26724 1 1122 . 1 1 94 94 ARG HG2 H 1 1.669 0.004 . 2 . . . . 210 ARG HG2 . 26724 1 1123 . 1 1 94 94 ARG HG3 H 1 1.477 0.005 . 2 . . . . 210 ARG HG3 . 26724 1 1124 . 1 1 94 94 ARG HD2 H 1 3.257 0.002 . 2 . . . . 210 ARG HD2 . 26724 1 1125 . 1 1 94 94 ARG HD3 H 1 3.197 0.006 . 2 . . . . 210 ARG HD3 . 26724 1 1126 . 1 1 94 94 ARG C C 13 175.473 0.078 . 1 . . . . 210 ARG C . 26724 1 1127 . 1 1 94 94 ARG CA C 13 56.364 0.057 . 1 . . . . 210 ARG CA . 26724 1 1128 . 1 1 94 94 ARG CB C 13 30.103 0.007 . 1 . . . . 210 ARG CB . 26724 1 1129 . 1 1 94 94 ARG CG C 13 27.316 0.025 . 1 . . . . 210 ARG CG . 26724 1 1130 . 1 1 94 94 ARG CD C 13 43.160 0.000 . 1 . . . . 210 ARG CD . 26724 1 1131 . 1 1 94 94 ARG N N 15 127.385 0.004 . 1 . . . . 210 ARG N . 26724 1 1132 . 1 1 95 95 VAL H H 1 8.303 0.005 . 1 . . . . 211 VAL H . 26724 1 1133 . 1 1 95 95 VAL HA H 1 4.355 0.003 . 1 . . . . 211 VAL HA . 26724 1 1134 . 1 1 95 95 VAL HB H 1 2.076 0.005 . 1 . . . . 211 VAL HB . 26724 1 1135 . 1 1 95 95 VAL HG11 H 1 0.876 0.004 . 2 . . . . 211 VAL HG11 . 26724 1 1136 . 1 1 95 95 VAL HG12 H 1 0.876 0.004 . 2 . . . . 211 VAL HG12 . 26724 1 1137 . 1 1 95 95 VAL HG13 H 1 0.876 0.004 . 2 . . . . 211 VAL HG13 . 26724 1 1138 . 1 1 95 95 VAL HG21 H 1 0.842 0.004 . 2 . . . . 211 VAL HG21 . 26724 1 1139 . 1 1 95 95 VAL HG22 H 1 0.842 0.004 . 2 . . . . 211 VAL HG22 . 26724 1 1140 . 1 1 95 95 VAL HG23 H 1 0.842 0.004 . 2 . . . . 211 VAL HG23 . 26724 1 1141 . 1 1 95 95 VAL C C 13 175.362 0.015 . 1 . . . . 211 VAL C . 26724 1 1142 . 1 1 95 95 VAL CA C 13 61.924 0.014 . 1 . . . . 211 VAL CA . 26724 1 1143 . 1 1 95 95 VAL CB C 13 32.781 0.073 . 1 . . . . 211 VAL CB . 26724 1 1144 . 1 1 95 95 VAL CG1 C 13 20.053 0.077 . 2 . . . . 211 VAL CG1 . 26724 1 1145 . 1 1 95 95 VAL CG2 C 13 22.121 0.061 . 2 . . . . 211 VAL CG2 . 26724 1 1146 . 1 1 95 95 VAL N N 15 124.567 0.011 . 1 . . . . 211 VAL N . 26724 1 1147 . 1 1 96 96 GLU H H 1 8.647 0.003 . 1 . . . . 212 GLU H . 26724 1 1148 . 1 1 96 96 GLU HA H 1 4.605 0.006 . 1 . . . . 212 GLU HA . 26724 1 1149 . 1 1 96 96 GLU HB2 H 1 2.013 0.002 . 2 . . . . 212 GLU HB2 . 26724 1 1150 . 1 1 96 96 GLU HB3 H 1 1.871 0.001 . 2 . . . . 212 GLU HB3 . 26724 1 1151 . 1 1 96 96 GLU HG2 H 1 2.227 0.002 . 1 . . . . 212 GLU HG2 . 26724 1 1152 . 1 1 96 96 GLU C C 13 175.667 0.050 . 1 . . . . 212 GLU C . 26724 1 1153 . 1 1 96 96 GLU CA C 13 55.439 0.019 . 1 . . . . 212 GLU CA . 26724 1 1154 . 1 1 96 96 GLU CB C 13 31.844 0.077 . 1 . . . . 212 GLU CB . 26724 1 1155 . 1 1 96 96 GLU CG C 13 36.230 0.039 . 1 . . . . 212 GLU CG . 26724 1 1156 . 1 1 96 96 GLU N N 15 125.537 0.003 . 1 . . . . 212 GLU N . 26724 1 1157 . 1 1 97 97 LYS H H 1 8.637 0.003 . 1 . . . . 213 LYS H . 26724 1 1158 . 1 1 97 97 LYS HA H 1 4.198 0.003 . 1 . . . . 213 LYS HA . 26724 1 1159 . 1 1 97 97 LYS HB2 H 1 1.690 0.003 . 2 . . . . 213 LYS HB2 . 26724 1 1160 . 1 1 97 97 LYS HB3 H 1 1.621 0.004 . 2 . . . . 213 LYS HB3 . 26724 1 1161 . 1 1 97 97 LYS HG2 H 1 1.291 0.003 . 2 . . . . 213 LYS HG2 . 26724 1 1162 . 1 1 97 97 LYS HG3 H 1 1.184 0.005 . 2 . . . . 213 LYS HG3 . 26724 1 1163 . 1 1 97 97 LYS HD2 H 1 1.590 0.003 . 1 . . . . 213 LYS HD2 . 26724 1 1164 . 1 1 97 97 LYS HE2 H 1 2.911 0.009 . 1 . . . . 213 LYS HE2 . 26724 1 1165 . 1 1 97 97 LYS C C 13 176.652 0.022 . 1 . . . . 213 LYS C . 26724 1 1166 . 1 1 97 97 LYS CA C 13 56.607 0.026 . 1 . . . . 213 LYS CA . 26724 1 1167 . 1 1 97 97 LYS CB C 13 33.044 0.087 . 1 . . . . 213 LYS CB . 26724 1 1168 . 1 1 97 97 LYS CG C 13 25.248 0.076 . 1 . . . . 213 LYS CG . 26724 1 1169 . 1 1 97 97 LYS CD C 13 28.996 0.028 . 1 . . . . 213 LYS CD . 26724 1 1170 . 1 1 97 97 LYS CE C 13 41.814 0.026 . 1 . . . . 213 LYS CE . 26724 1 1171 . 1 1 97 97 LYS N N 15 124.451 0.003 . 1 . . . . 213 LYS N . 26724 1 1172 . 1 1 98 98 GLN H H 1 8.691 0.004 . 1 . . . . 214 GLN H . 26724 1 1173 . 1 1 98 98 GLN HA H 1 4.300 0.003 . 1 . . . . 214 GLN HA . 26724 1 1174 . 1 1 98 98 GLN HB2 H 1 2.051 0.004 . 2 . . . . 214 GLN HB2 . 26724 1 1175 . 1 1 98 98 GLN HB3 H 1 1.861 0.001 . 2 . . . . 214 GLN HB3 . 26724 1 1176 . 1 1 98 98 GLN HG2 H 1 2.250 0.002 . 1 . . . . 214 GLN HG2 . 26724 1 1177 . 1 1 98 98 GLN HE21 H 1 7.415 0.000 . 1 . . . . 214 GLN HE21 . 26724 1 1178 . 1 1 98 98 GLN HE22 H 1 7.017 0.001 . 1 . . . . 214 GLN HE22 . 26724 1 1179 . 1 1 98 98 GLN C C 13 175.826 0.031 . 1 . . . . 214 GLN C . 26724 1 1180 . 1 1 98 98 GLN CA C 13 55.458 0.128 . 1 . . . . 214 GLN CA . 26724 1 1181 . 1 1 98 98 GLN CB C 13 29.510 0.034 . 1 . . . . 214 GLN CB . 26724 1 1182 . 1 1 98 98 GLN CG C 13 33.921 0.089 . 1 . . . . 214 GLN CG . 26724 1 1183 . 1 1 98 98 GLN N N 15 123.050 0.008 . 1 . . . . 214 GLN N . 26724 1 1184 . 1 1 98 98 GLN NE2 N 15 112.767 0.003 . 1 . . . . 214 GLN NE2 . 26724 1 1185 . 1 1 99 99 SER H H 1 8.418 0.001 . 1 . . . . 215 SER H . 26724 1 1186 . 1 1 99 99 SER HA H 1 4.421 0.002 . 1 . . . . 215 SER HA . 26724 1 1187 . 1 1 99 99 SER HB2 H 1 3.808 0.002 . 1 . . . . 215 SER HB2 . 26724 1 1188 . 1 1 99 99 SER C C 13 173.992 0.018 . 1 . . . . 215 SER C . 26724 1 1189 . 1 1 99 99 SER CA C 13 58.024 0.027 . 1 . . . . 215 SER CA . 26724 1 1190 . 1 1 99 99 SER CB C 13 63.614 0.101 . 1 . . . . 215 SER CB . 26724 1 1191 . 1 1 99 99 SER N N 15 117.597 0.002 . 1 . . . . 215 SER N . 26724 1 1192 . 1 1 100 100 LEU H H 1 8.296 0.001 . 1 . . . . 216 LEU H . 26724 1 1193 . 1 1 100 100 LEU HA H 1 4.369 0.003 . 1 . . . . 216 LEU HA . 26724 1 1194 . 1 1 100 100 LEU HB2 H 1 1.619 0.002 . 2 . . . . 216 LEU HB2 . 26724 1 1195 . 1 1 100 100 LEU HB3 H 1 1.511 0.002 . 2 . . . . 216 LEU HB3 . 26724 1 1196 . 1 1 100 100 LEU HG H 1 1.574 0.003 . 1 . . . . 216 LEU HG . 26724 1 1197 . 1 1 100 100 LEU HD11 H 1 0.845 0.003 . 2 . . . . 216 LEU HD11 . 26724 1 1198 . 1 1 100 100 LEU HD12 H 1 0.845 0.003 . 2 . . . . 216 LEU HD12 . 26724 1 1199 . 1 1 100 100 LEU HD13 H 1 0.845 0.003 . 2 . . . . 216 LEU HD13 . 26724 1 1200 . 1 1 100 100 LEU HD21 H 1 0.909 0.004 . 2 . . . . 216 LEU HD21 . 26724 1 1201 . 1 1 100 100 LEU HD22 H 1 0.909 0.004 . 2 . . . . 216 LEU HD22 . 26724 1 1202 . 1 1 100 100 LEU HD23 H 1 0.909 0.004 . 2 . . . . 216 LEU HD23 . 26724 1 1203 . 1 1 100 100 LEU C C 13 176.525 0.022 . 1 . . . . 216 LEU C . 26724 1 1204 . 1 1 100 100 LEU CA C 13 55.078 0.047 . 1 . . . . 216 LEU CA . 26724 1 1205 . 1 1 100 100 LEU CB C 13 42.499 0.030 . 1 . . . . 216 LEU CB . 26724 1 1206 . 1 1 100 100 LEU CG C 13 27.019 0.038 . 1 . . . . 216 LEU CG . 26724 1 1207 . 1 1 100 100 LEU CD1 C 13 23.487 0.022 . 2 . . . . 216 LEU CD1 . 26724 1 1208 . 1 1 100 100 LEU CD2 C 13 25.000 0.042 . 2 . . . . 216 LEU CD2 . 26724 1 1209 . 1 1 100 100 LEU N N 15 124.226 0.003 . 1 . . . . 216 LEU N . 26724 1 1210 . 1 1 101 101 VAL H H 1 7.957 0.001 . 1 . . . . 217 VAL H . 26724 1 1211 . 1 1 101 101 VAL HA H 1 4.059 0.003 . 1 . . . . 217 VAL HA . 26724 1 1212 . 1 1 101 101 VAL HB H 1 1.963 0.004 . 1 . . . . 217 VAL HB . 26724 1 1213 . 1 1 101 101 VAL HG11 H 1 0.844 0.004 . 2 . . . . 217 VAL HG11 . 26724 1 1214 . 1 1 101 101 VAL HG12 H 1 0.844 0.004 . 2 . . . . 217 VAL HG12 . 26724 1 1215 . 1 1 101 101 VAL HG13 H 1 0.844 0.004 . 2 . . . . 217 VAL HG13 . 26724 1 1216 . 1 1 101 101 VAL HG21 H 1 0.849 0.003 . 2 . . . . 217 VAL HG21 . 26724 1 1217 . 1 1 101 101 VAL HG22 H 1 0.849 0.003 . 2 . . . . 217 VAL HG22 . 26724 1 1218 . 1 1 101 101 VAL HG23 H 1 0.849 0.003 . 2 . . . . 217 VAL HG23 . 26724 1 1219 . 1 1 101 101 VAL C C 13 174.633 0.028 . 1 . . . . 217 VAL C . 26724 1 1220 . 1 1 101 101 VAL CA C 13 62.076 0.040 . 1 . . . . 217 VAL CA . 26724 1 1221 . 1 1 101 101 VAL CB C 13 33.072 0.025 . 1 . . . . 217 VAL CB . 26724 1 1222 . 1 1 101 101 VAL CG1 C 13 20.355 0.041 . 2 . . . . 217 VAL CG1 . 26724 1 1223 . 1 1 101 101 VAL CG2 C 13 21.148 0.036 . 2 . . . . 217 VAL CG2 . 26724 1 1224 . 1 1 101 101 VAL N N 15 120.897 0.009 . 1 . . . . 217 VAL N . 26724 1 1225 . 1 1 102 102 PHE H H 1 7.779 0.002 . 1 . . . . 218 PHE H . 26724 1 1226 . 1 1 102 102 PHE HA H 1 4.443 0.003 . 1 . . . . 218 PHE HA . 26724 1 1227 . 1 1 102 102 PHE HB2 H 1 3.139 0.003 . 2 . . . . 218 PHE HB2 . 26724 1 1228 . 1 1 102 102 PHE HB3 H 1 2.934 0.001 . 2 . . . . 218 PHE HB3 . 26724 1 1229 . 1 1 102 102 PHE HD1 H 1 7.214 0.003 . 1 . . . . 218 PHE HD1 . 26724 1 1230 . 1 1 102 102 PHE HD2 H 1 7.214 0.003 . 1 . . . . 218 PHE HD2 . 26724 1 1231 . 1 1 102 102 PHE HE1 H 1 7.319 0.000 . 1 . . . . 218 PHE HE1 . 26724 1 1232 . 1 1 102 102 PHE HE2 H 1 7.319 0.000 . 1 . . . . 218 PHE HE2 . 26724 1 1233 . 1 1 102 102 PHE HZ H 1 7.267 0.001 . 1 . . . . 218 PHE HZ . 26724 1 1234 . 1 1 102 102 PHE C C 13 180.207 0.000 . 1 . . . . 218 PHE C . 26724 1 1235 . 1 1 102 102 PHE CA C 13 58.955 0.068 . 1 . . . . 218 PHE CA . 26724 1 1236 . 1 1 102 102 PHE CB C 13 40.497 0.017 . 1 . . . . 218 PHE CB . 26724 1 1237 . 1 1 102 102 PHE CD1 C 13 131.961 0.012 . 1 . . . . 218 PHE CD1 . 26724 1 1238 . 1 1 102 102 PHE CD2 C 13 131.961 0.012 . 1 . . . . 218 PHE CD2 . 26724 1 1239 . 1 1 102 102 PHE CE1 C 13 131.099 0.015 . 1 . . . . 218 PHE CE1 . 26724 1 1240 . 1 1 102 102 PHE CE2 C 13 131.099 0.015 . 1 . . . . 218 PHE CE2 . 26724 1 1241 . 1 1 102 102 PHE CZ C 13 129.424 0.000 . 1 . . . . 218 PHE CZ . 26724 1 1242 . 1 1 102 102 PHE N N 15 129.028 0.009 . 1 . . . . 218 PHE N . 26724 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 26724 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description 'Normalized to reference integral by nlinLS, the peak fitting routine in NMRPipe' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 16 'Heteronuclear NOE ratio' . . . 26724 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 -0.3470 -0.0100 . . . 119 LYS N . 119 LYS H 26724 1 2 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.3753 0.0113 . . . 121 LYS N . 121 LYS H 26724 1 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.5912 0.0177 . . . 122 TYR N . 122 TYR H 26724 1 4 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.7125 0.0214 . . . 123 ASN N . 123 ASN H 26724 1 5 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.6822 0.0205 . . . 125 GLU N . 125 GLU H 26724 1 6 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.6685 0.0201 . . . 126 VAL N . 126 VAL H 26724 1 7 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.7119 0.0214 . . . 127 GLU N . 127 GLU H 26724 1 8 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.6926 0.0208 . . . 128 ALA N . 128 ALA H 26724 1 9 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.7339 0.0220 . . . 129 LYS N . 129 LYS H 26724 1 10 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.7588 0.0228 . . . 130 LEU N . 130 LEU H 26724 1 11 . 1 1 15 15 ASP N N 15 . 1 1 15 15 ASP H H 1 0.7117 0.0214 . . . 131 ASP N . 131 ASP H 26724 1 12 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 0.7399 0.0222 . . . 132 VAL N . 132 VAL H 26724 1 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.7787 0.0234 . . . 133 ALA N . 133 ALA H 26724 1 14 . 1 1 18 18 ARG N N 15 . 1 1 18 18 ARG H H 1 0.7650 0.0229 . . . 134 ARG N . 134 ARG H 26724 1 15 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.7872 0.0236 . . . 135 ARG N . 135 ARG H 26724 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.7224 0.0217 . . . 136 LEU N . 136 LEU H 26724 1 17 . 1 1 21 21 PHE N N 15 . 1 1 21 21 PHE H H 1 0.7853 0.0236 . . . 137 PHE N . 137 PHE H 26724 1 18 . 1 1 23 23 ARG N N 15 . 1 1 23 23 ARG H H 1 0.7355 0.0221 . . . 139 ARG N . 139 ARG H 26724 1 19 . 1 1 24 24 TYR N N 15 . 1 1 24 24 TYR H H 1 0.7604 0.0228 . . . 140 TYR N . 140 TYR H 26724 1 20 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.7951 0.0239 . . . 141 ASP N . 141 ASP H 26724 1 21 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.7361 0.0221 . . . 142 LYS N . 142 LYS H 26724 1 22 . 1 1 27 27 ASP N N 15 . 1 1 27 27 ASP H H 1 0.7522 0.0226 . . . 143 ASP N . 143 ASP H 26724 1 23 . 1 1 28 28 GLY N N 15 . 1 1 28 28 GLY H H 1 0.7261 0.0218 . . . 144 GLY N . 144 GLY H 26724 1 24 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.7936 0.0238 . . . 145 SER N . 145 SER H 26724 1 25 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.7659 0.0230 . . . 146 GLY N . 146 GLY H 26724 1 26 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.8537 0.0256 . . . 148 LEU N . 148 LEU H 26724 1 27 . 1 1 34 34 ASP N N 15 . 1 1 34 34 ASP H H 1 0.5739 0.0172 . . . 150 ASP N . 150 ASP H 26724 1 28 . 1 1 35 35 ASP N N 15 . 1 1 35 35 ASP H H 1 0.6918 0.0208 . . . 151 ASP N . 151 ASP H 26724 1 29 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.5305 0.0159 . . . 152 GLU N . 152 GLU H 26724 1 30 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.6873 0.0206 . . . 153 ILE N . 153 ILE H 26724 1 31 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.7590 0.0228 . . . 154 ALA N . 154 ALA H 26724 1 32 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.7522 0.0226 . . . 155 GLY N . 155 GLY H 26724 1 33 . 1 1 40 40 LEU N N 15 . 1 1 40 40 LEU H H 1 0.8158 0.0245 . . . 156 LEU N . 156 LEU H 26724 1 34 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.7553 0.0227 . . . 157 LEU N . 157 LEU H 26724 1 35 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.7138 0.0214 . . . 158 LYS N . 158 LYS H 26724 1 36 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.7612 0.0228 . . . 159 ASP N . 159 ASP H 26724 1 37 . 1 1 44 44 THR N N 15 . 1 1 44 44 THR H H 1 0.7561 0.0227 . . . 160 THR N . 160 THR H 26724 1 38 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.7357 0.0221 . . . 161 TYR N . 161 TYR H 26724 1 39 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.6628 0.0199 . . . 162 ALA N . 162 ALA H 26724 1 40 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.6712 0.0201 . . . 163 GLU N . 163 GLU H 26724 1 41 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.6423 0.0193 . . . 164 MET N . 164 MET H 26724 1 42 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.6585 0.0198 . . . 165 GLY N . 165 GLY H 26724 1 43 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.6283 0.0188 . . . 166 MET N . 166 MET H 26724 1 44 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.3275 0.0098 . . . 167 SER N . 167 SER H 26724 1 45 . 1 1 52 52 ASN N N 15 . 1 1 52 52 ASN H H 1 0.4881 0.0146 . . . 168 ASN N . 168 ASN H 26724 1 46 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.5220 0.0157 . . . 169 PHE N . 169 PHE H 26724 1 47 . 1 1 54 54 THR N N 15 . 1 1 54 54 THR H H 1 0.4854 0.0146 . . . 170 THR N . 170 THR H 26724 1 48 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.7146 0.0214 . . . 172 THR N . 172 THR H 26724 1 49 . 1 1 57 57 LYS N N 15 . 1 1 57 57 LYS H H 1 0.7141 0.0214 . . . 173 LYS N . 173 LYS H 26724 1 50 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.7417 0.0223 . . . 174 GLU N . 174 GLU H 26724 1 51 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.7386 0.0222 . . . 175 ASP N . 175 ASP H 26724 1 52 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.7507 0.0225 . . . 176 VAL N . 176 VAL H 26724 1 53 . 1 1 61 61 LYS N N 15 . 1 1 61 61 LYS H H 1 0.7908 0.0237 . . . 177 LYS N . 177 LYS H 26724 1 54 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.7149 0.0214 . . . 178 ILE N . 178 ILE H 26724 1 55 . 1 1 63 63 TRP N N 15 . 1 1 63 63 TRP H H 1 0.7740 0.0232 . . . 179 TRP N . 179 TRP H 26724 1 56 . 1 1 64 64 LEU N N 15 . 1 1 64 64 LEU H H 1 0.7538 0.0226 . . . 180 LEU N . 180 LEU H 26724 1 57 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.7397 0.0222 . . . 181 GLN N . 181 GLN H 26724 1 58 . 1 1 66 66 MET N N 15 . 1 1 66 66 MET H H 1 0.7495 0.0225 . . . 182 MET N . 182 MET H 26724 1 59 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.7319 0.0220 . . . 183 ALA N . 183 ALA H 26724 1 60 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.7686 0.0231 . . . 184 ASP N . 184 ASP H 26724 1 61 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.7160 0.0215 . . . 185 THR N . 185 THR H 26724 1 62 . 1 1 70 70 ASN N N 15 . 1 1 70 70 ASN H H 1 0.8031 0.0241 . . . 186 ASN N . 186 ASN H 26724 1 63 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.7590 0.0228 . . . 187 SER N . 187 SER H 26724 1 64 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.7841 0.0235 . . . 188 ASP N . 188 ASP H 26724 1 65 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.7822 0.0235 . . . 189 GLY N . 189 GLY H 26724 1 66 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.7900 0.0237 . . . 190 SER N . 190 SER H 26724 1 67 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.7703 0.0231 . . . 191 VAL N . 191 VAL H 26724 1 68 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.7829 0.0235 . . . 192 SER N . 192 SER H 26724 1 69 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.7558 0.0227 . . . 193 LEU N . 193 LEU H 26724 1 70 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.7436 0.0223 . . . 194 GLU N . 194 GLU H 26724 1 71 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.8234 0.0247 . . . 195 GLU N . 195 GLU H 26724 1 72 . 1 1 80 80 TYR N N 15 . 1 1 80 80 TYR H H 1 0.7870 0.0236 . . . 196 TYR N . 196 TYR H 26724 1 73 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.7916 0.0237 . . . 197 GLU N . 197 GLU H 26724 1 74 . 1 1 82 82 ASP N N 15 . 1 1 82 82 ASP H H 1 0.7600 0.0228 . . . 198 ASP N . 198 ASP H 26724 1 75 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.7459 0.0224 . . . 199 LEU N . 199 LEU H 26724 1 76 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.7743 0.0232 . . . 200 ILE N . 200 ILE H 26724 1 77 . 1 1 86 86 LYS N N 15 . 1 1 86 86 LYS H H 1 0.6980 0.0209 . . . 202 LYS N . 202 LYS H 26724 1 78 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.7649 0.0229 . . . 203 SER N . 203 SER H 26724 1 79 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.7766 0.0233 . . . 204 LEU N . 204 LEU H 26724 1 80 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.7417 0.0223 . . . 205 GLN N . 205 GLN H 26724 1 81 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.6628 0.0199 . . . 206 LYS N . 206 LYS H 26724 1 82 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.6656 0.0200 . . . 207 ALA N . 207 ALA H 26724 1 83 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.6201 0.0186 . . . 208 GLY N . 208 GLY H 26724 1 84 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.6564 0.0197 . . . 209 ILE N . 209 ILE H 26724 1 85 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.5425 0.0163 . . . 210 ARG N . 210 ARG H 26724 1 86 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.5401 0.0162 . . . 211 VAL N . 211 VAL H 26724 1 87 . 1 1 96 96 GLU N N 15 . 1 1 96 96 GLU H H 1 0.5604 0.0168 . . . 212 GLU N . 212 GLU H 26724 1 88 . 1 1 97 97 LYS N N 15 . 1 1 97 97 LYS H H 1 0.4640 0.0139 . . . 213 LYS N . 213 LYS H 26724 1 89 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.4281 0.0128 . . . 214 GLN N . 214 GLN H 26724 1 90 . 1 1 99 99 SER N N 15 . 1 1 99 99 SER H H 1 0.1997 0.0060 . . . 215 SER N . 215 SER H 26724 1 91 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 -0.1220 -0.0030 . . . 216 LEU N . 216 LEU H 26724 1 92 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 -0.4820 -0.0140 . . . 217 VAL N . 217 VAL H 26724 1 93 . 1 1 102 102 PHE N N 15 . 1 1 102 102 PHE H H 1 -0.7110 -0.0210 . . . 218 PHE N . 218 PHE H 26724 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 26724 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 17 'T1 experiments' . . . 26724 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 LYS N N 15 0.6011 0.0737 . . 119 LYS N 26724 1 2 . 1 1 5 5 LYS N N 15 0.6788 0.0298 . . 121 LYS N 26724 1 3 . 1 1 6 6 TYR N N 15 0.6875 0.0259 . . 122 TYR N 26724 1 4 . 1 1 7 7 ASN N N 15 0.6331 0.0365 . . 123 ASN N 26724 1 5 . 1 1 9 9 GLU N N 15 0.6697 0.0230 . . 125 GLU N 26724 1 6 . 1 1 10 10 VAL N N 15 0.7661 0.0421 . . 126 VAL N 26724 1 7 . 1 1 11 11 GLU N N 15 0.7063 0.0499 . . 127 GLU N 26724 1 8 . 1 1 12 12 ALA N N 15 0.7040 0.0323 . . 128 ALA N 26724 1 9 . 1 1 13 13 LYS N N 15 0.7168 0.0734 . . 129 LYS N 26724 1 10 . 1 1 14 14 LEU N N 15 0.7034 0.0376 . . 130 LEU N 26724 1 11 . 1 1 15 15 ASP N N 15 0.6897 0.0310 . . 131 ASP N 26724 1 12 . 1 1 16 16 VAL N N 15 0.6877 0.0433 . . 132 VAL N 26724 1 13 . 1 1 17 17 ALA N N 15 0.6588 0.0192 . . 133 ALA N 26724 1 14 . 1 1 18 18 ARG N N 15 0.7502 0.0356 . . 134 ARG N 26724 1 15 . 1 1 19 19 ARG N N 15 0.6774 0.0375 . . 135 ARG N 26724 1 16 . 1 1 20 20 LEU N N 15 0.6471 0.0253 . . 136 LEU N 26724 1 17 . 1 1 21 21 PHE N N 15 0.6933 0.0414 . . 137 PHE N 26724 1 18 . 1 1 23 23 ARG N N 15 0.6952 0.0291 . . 139 ARG N 26724 1 19 . 1 1 24 24 TYR N N 15 0.7351 0.0443 . . 140 TYR N 26724 1 20 . 1 1 25 25 ASP N N 15 0.7193 0.0362 . . 141 ASP N 26724 1 21 . 1 1 26 26 LYS N N 15 0.7192 0.0369 . . 142 LYS N 26724 1 22 . 1 1 27 27 ASP N N 15 0.6112 0.0497 . . 143 ASP N 26724 1 23 . 1 1 28 28 GLY N N 15 0.6684 0.0416 . . 144 GLY N 26724 1 24 . 1 1 29 29 SER N N 15 0.6603 0.0419 . . 145 SER N 26724 1 25 . 1 1 30 30 GLY N N 15 0.6486 0.0335 . . 146 GLY N 26724 1 26 . 1 1 34 34 ASP N N 15 0.5971 0.0098 . . 150 ASP N 26724 1 27 . 1 1 35 35 ASP N N 15 0.5773 0.0107 . . 151 ASP N 26724 1 28 . 1 1 36 36 GLU N N 15 0.7678 0.0301 . . 152 GLU N 26724 1 29 . 1 1 37 37 ILE N N 15 0.6619 0.0326 . . 153 ILE N 26724 1 30 . 1 1 38 38 ALA N N 15 0.6629 0.0151 . . 154 ALA N 26724 1 31 . 1 1 39 39 GLY N N 15 0.6337 0.0215 . . 155 GLY N 26724 1 32 . 1 1 41 41 LEU N N 15 0.6441 0.0236 . . 157 LEU N 26724 1 33 . 1 1 42 42 LYS N N 15 0.6857 0.0288 . . 158 LYS N 26724 1 34 . 1 1 43 43 ASP N N 15 0.6030 0.0152 . . 159 ASP N 26724 1 35 . 1 1 44 44 THR N N 15 0.7011 0.0226 . . 160 THR N 26724 1 36 . 1 1 46 46 ALA N N 15 0.6379 0.0628 . . 162 ALA N 26724 1 37 . 1 1 47 47 GLU N N 15 0.6609 0.0271 . . 163 GLU N 26724 1 38 . 1 1 48 48 MET N N 15 0.7351 0.0403 . . 164 MET N 26724 1 39 . 1 1 49 49 GLY N N 15 0.6761 0.0309 . . 165 GLY N 26724 1 40 . 1 1 50 50 MET N N 15 0.6713 0.0236 . . 166 MET N 26724 1 41 . 1 1 51 51 SER N N 15 0.4953 0.0517 . . 167 SER N 26724 1 42 . 1 1 52 52 ASN N N 15 0.5418 0.0489 . . 168 ASN N 26724 1 43 . 1 1 53 53 PHE N N 15 0.7004 0.0249 . . 169 PHE N 26724 1 44 . 1 1 54 54 THR N N 15 0.6794 0.0141 . . 170 THR N 26724 1 45 . 1 1 56 56 THR N N 15 0.6904 0.0393 . . 172 THR N 26724 1 46 . 1 1 57 57 LYS N N 15 0.5998 0.0383 . . 173 LYS N 26724 1 47 . 1 1 58 58 GLU N N 15 0.6407 0.0220 . . 174 GLU N 26724 1 48 . 1 1 59 59 ASP N N 15 0.6900 0.0359 . . 175 ASP N 26724 1 49 . 1 1 60 60 VAL N N 15 0.7614 0.0364 . . 176 VAL N 26724 1 50 . 1 1 61 61 LYS N N 15 0.6828 0.0412 . . 177 LYS N 26724 1 51 . 1 1 62 62 ILE N N 15 0.7065 0.0259 . . 178 ILE N 26724 1 52 . 1 1 63 63 TRP N N 15 0.7047 0.0233 . . 179 TRP N 26724 1 53 . 1 1 64 64 LEU N N 15 0.7211 0.0184 . . 180 LEU N 26724 1 54 . 1 1 65 65 GLN N N 15 0.7040 0.0145 . . 181 GLN N 26724 1 55 . 1 1 66 66 MET N N 15 0.7193 0.0237 . . 182 MET N 26724 1 56 . 1 1 67 67 ALA N N 15 0.6798 0.0561 . . 183 ALA N 26724 1 57 . 1 1 68 68 ASP N N 15 0.7227 0.0459 . . 184 ASP N 26724 1 58 . 1 1 69 69 THR N N 15 0.6353 0.0153 . . 185 THR N 26724 1 59 . 1 1 70 70 ASN N N 15 0.6224 0.0176 . . 186 ASN N 26724 1 60 . 1 1 71 71 SER N N 15 0.6416 0.0505 . . 187 SER N 26724 1 61 . 1 1 72 72 ASP N N 15 0.6629 0.0152 . . 188 ASP N 26724 1 62 . 1 1 73 73 GLY N N 15 0.8091 0.0545 . . 189 GLY N 26724 1 63 . 1 1 74 74 SER N N 15 0.6743 0.0498 . . 190 SER N 26724 1 64 . 1 1 75 75 VAL N N 15 0.7376 0.0569 . . 191 VAL N 26724 1 65 . 1 1 76 76 SER N N 15 0.5944 0.0214 . . 192 SER N 26724 1 66 . 1 1 77 77 LEU N N 15 0.6207 0.0378 . . 193 LEU N 26724 1 67 . 1 1 78 78 GLU N N 15 0.6324 0.0268 . . 194 GLU N 26724 1 68 . 1 1 79 79 GLU N N 15 0.6417 0.0194 . . 195 GLU N 26724 1 69 . 1 1 80 80 TYR N N 15 0.5796 0.0274 . . 196 TYR N 26724 1 70 . 1 1 81 81 GLU N N 15 0.6615 0.0852 . . 197 GLU N 26724 1 71 . 1 1 82 82 ASP N N 15 0.6535 0.0302 . . 198 ASP N 26724 1 72 . 1 1 83 83 LEU N N 15 0.6521 0.0429 . . 199 LEU N 26724 1 73 . 1 1 84 84 ILE N N 15 0.6316 0.0580 . . 200 ILE N 26724 1 74 . 1 1 86 86 LYS N N 15 0.6797 0.0280 . . 202 LYS N 26724 1 75 . 1 1 87 87 SER N N 15 0.6393 0.0585 . . 203 SER N 26724 1 76 . 1 1 88 88 LEU N N 15 0.6421 0.0784 . . 204 LEU N 26724 1 77 . 1 1 89 89 GLN N N 15 0.6321 0.0216 . . 205 GLN N 26724 1 78 . 1 1 90 90 LYS N N 15 0.6601 0.0449 . . 206 LYS N 26724 1 79 . 1 1 91 91 ALA N N 15 0.6287 0.0266 . . 207 ALA N 26724 1 80 . 1 1 92 92 GLY N N 15 0.6446 0.0686 . . 208 GLY N 26724 1 81 . 1 1 93 93 ILE N N 15 0.7656 0.0477 . . 209 ILE N 26724 1 82 . 1 1 94 94 ARG N N 15 0.6680 0.0270 . . 210 ARG N 26724 1 83 . 1 1 95 95 VAL N N 15 0.7155 0.0173 . . 211 VAL N 26724 1 84 . 1 1 96 96 GLU N N 15 0.6418 0.0295 . . 212 GLU N 26724 1 85 . 1 1 97 97 LYS N N 15 0.5993 0.0100 . . 213 LYS N 26724 1 86 . 1 1 98 98 GLN N N 15 0.5742 0.0218 . . 214 GLN N 26724 1 87 . 1 1 99 99 SER N N 15 0.5403 0.0371 . . 215 SER N 26724 1 88 . 1 1 100 100 LEU N N 15 0.5836 0.0178 . . 216 LEU N 26724 1 89 . 1 1 101 101 VAL N N 15 0.7492 0.0230 . . 217 VAL N 26724 1 90 . 1 1 102 102 PHE N N 15 0.9664 0.0222 . . 218 PHE N 26724 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 26724 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 18 'T2 experiments' . . . 26724 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 LYS N N 15 0.2257 0.0545 . . . . 119 LYS N 26724 1 2 . 1 1 5 5 LYS N N 15 0.1555 0.0068 . . . . 121 LYS N 26724 1 3 . 1 1 6 6 TYR N N 15 0.1152 0.0110 . . . . 122 TYR N 26724 1 4 . 1 1 7 7 ASN N N 15 0.0877 0.0074 . . . . 123 ASN N 26724 1 5 . 1 1 9 9 GLU N N 15 0.0775 0.0066 . . . . 125 GLU N 26724 1 6 . 1 1 10 10 VAL N N 15 0.0885 0.0066 . . . . 126 VAL N 26724 1 7 . 1 1 11 11 GLU N N 15 0.0800 0.0045 . . . . 127 GLU N 26724 1 8 . 1 1 12 12 ALA N N 15 0.0901 0.0016 . . . . 128 ALA N 26724 1 9 . 1 1 13 13 LYS N N 15 0.0714 0.0033 . . . . 129 LYS N 26724 1 10 . 1 1 14 14 LEU N N 15 0.0877 0.0092 . . . . 130 LEU N 26724 1 11 . 1 1 15 15 ASP N N 15 0.0855 0.0030 . . . . 131 ASP N 26724 1 12 . 1 1 16 16 VAL N N 15 0.0862 0.0021 . . . . 132 VAL N 26724 1 13 . 1 1 17 17 ALA N N 15 0.0833 0.0040 . . . . 133 ALA N 26724 1 14 . 1 1 18 18 ARG N N 15 0.0862 0.0039 . . . . 134 ARG N 26724 1 15 . 1 1 19 19 ARG N N 15 0.0862 0.0028 . . . . 135 ARG N 26724 1 16 . 1 1 20 20 LEU N N 15 0.0840 0.0039 . . . . 136 LEU N 26724 1 17 . 1 1 21 21 PHE N N 15 0.0820 0.0042 . . . . 137 PHE N 26724 1 18 . 1 1 23 23 ARG N N 15 0.0926 0.0032 . . . . 139 ARG N 26724 1 19 . 1 1 24 24 TYR N N 15 0.0877 0.0071 . . . . 140 TYR N 26724 1 20 . 1 1 25 25 ASP N N 15 0.0926 0.0038 . . . . 141 ASP N 26724 1 21 . 1 1 26 26 LYS N N 15 0.1147 0.0047 . . . . 142 LYS N 26724 1 22 . 1 1 27 27 ASP N N 15 0.0990 0.0041 . . . . 143 ASP N 26724 1 23 . 1 1 28 28 GLY N N 15 0.0917 0.0070 . . . . 144 GLY N 26724 1 24 . 1 1 29 29 SER N N 15 0.0935 0.0109 . . . . 145 SER N 26724 1 25 . 1 1 30 30 GLY N N 15 0.0926 0.0080 . . . . 146 GLY N 26724 1 26 . 1 1 32 32 LEU N N 15 0.0893 0.0088 . . . . 148 LEU N 26724 1 27 . 1 1 34 34 ASP N N 15 0.1258 0.0061 . . . . 150 ASP N 26724 1 28 . 1 1 35 35 ASP N N 15 0.1115 0.0020 . . . . 151 ASP N 26724 1 29 . 1 1 36 36 GLU N N 15 0.1001 0.0051 . . . . 152 GLU N 26724 1 30 . 1 1 37 37 ILE N N 15 0.0685 0.0068 . . . . 153 ILE N 26724 1 31 . 1 1 38 38 ALA N N 15 0.1003 0.0126 . . . . 154 ALA N 26724 1 32 . 1 1 39 39 GLY N N 15 0.0840 0.0078 . . . . 155 GLY N 26724 1 33 . 1 1 40 40 LEU N N 15 0.0833 0.0078 . . . . 156 LEU N 26724 1 34 . 1 1 41 41 LEU N N 15 0.0714 0.0061 . . . . 157 LEU N 26724 1 35 . 1 1 42 42 LYS N N 15 0.0885 0.0132 . . . . 158 LYS N 26724 1 36 . 1 1 43 43 ASP N N 15 0.0926 0.0044 . . . . 159 ASP N 26724 1 37 . 1 1 45 45 TYR N N 15 0.0820 0.0051 . . . . 161 TYR N 26724 1 38 . 1 1 46 46 ALA N N 15 0.0775 0.0038 . . . . 162 ALA N 26724 1 39 . 1 1 47 47 GLU N N 15 0.0926 0.0053 . . . . 163 GLU N 26724 1 40 . 1 1 48 48 MET N N 15 0.1117 0.0102 . . . . 164 MET N 26724 1 41 . 1 1 49 49 GLY N N 15 0.1139 0.0028 . . . . 165 GLY N 26724 1 42 . 1 1 50 50 MET N N 15 0.0877 0.0039 . . . . 166 MET N 26724 1 43 . 1 1 52 52 ASN N N 15 0.1000 0.0044 . . . . 168 ASN N 26724 1 44 . 1 1 53 53 PHE N N 15 0.1131 0.0055 . . . . 169 PHE N 26724 1 45 . 1 1 54 54 THR N N 15 0.0917 0.0078 . . . . 170 THR N 26724 1 46 . 1 1 56 56 THR N N 15 0.0952 0.0066 . . . . 172 THR N 26724 1 47 . 1 1 57 57 LYS N N 15 0.0901 0.0014 . . . . 173 LYS N 26724 1 48 . 1 1 58 58 GLU N N 15 0.0893 0.0100 . . . . 174 GLU N 26724 1 49 . 1 1 59 59 ASP N N 15 0.0909 0.0052 . . . . 175 ASP N 26724 1 50 . 1 1 60 60 VAL N N 15 0.0885 0.0055 . . . . 176 VAL N 26724 1 51 . 1 1 61 61 LYS N N 15 0.0980 0.0129 . . . . 177 LYS N 26724 1 52 . 1 1 62 62 ILE N N 15 0.0952 0.0072 . . . . 178 ILE N 26724 1 53 . 1 1 63 63 TRP N N 15 0.0847 0.0075 . . . . 179 TRP N 26724 1 54 . 1 1 64 64 LEU N N 15 0.0847 0.0036 . . . . 180 LEU N 26724 1 55 . 1 1 65 65 GLN N N 15 0.0893 0.0064 . . . . 181 GLN N 26724 1 56 . 1 1 66 66 MET N N 15 0.1031 0.0098 . . . . 182 MET N 26724 1 57 . 1 1 67 67 ALA N N 15 0.0758 0.0051 . . . . 183 ALA N 26724 1 58 . 1 1 68 68 ASP N N 15 0.0855 0.0084 . . . . 184 ASP N 26724 1 59 . 1 1 69 69 THR N N 15 0.1021 0.0056 . . . . 185 THR N 26724 1 60 . 1 1 70 70 ASN N N 15 0.1048 0.0069 . . . . 186 ASN N 26724 1 61 . 1 1 71 71 SER N N 15 0.0901 0.0042 . . . . 187 SER N 26724 1 62 . 1 1 72 72 ASP N N 15 0.0935 0.0068 . . . . 188 ASP N 26724 1 63 . 1 1 73 73 GLY N N 15 0.0901 0.0091 . . . . 189 GLY N 26724 1 64 . 1 1 74 74 SER N N 15 0.0901 0.0084 . . . . 190 SER N 26724 1 65 . 1 1 75 75 VAL N N 15 0.0990 0.0068 . . . . 191 VAL N 26724 1 66 . 1 1 76 76 SER N N 15 0.0893 0.0092 . . . . 192 SER N 26724 1 67 . 1 1 77 77 LEU N N 15 0.0952 0.0081 . . . . 193 LEU N 26724 1 68 . 1 1 78 78 GLU N N 15 0.0990 0.0051 . . . . 194 GLU N 26724 1 69 . 1 1 79 79 GLU N N 15 0.0862 0.0024 . . . . 195 GLU N 26724 1 70 . 1 1 80 80 TYR N N 15 0.0877 0.0049 . . . . 196 TYR N 26724 1 71 . 1 1 81 81 GLU N N 15 0.0943 0.0044 . . . . 197 GLU N 26724 1 72 . 1 1 82 82 ASP N N 15 0.1006 0.0072 . . . . 198 ASP N 26724 1 73 . 1 1 83 83 LEU N N 15 0.0847 0.0036 . . . . 199 LEU N 26724 1 74 . 1 1 84 84 ILE N N 15 0.0730 0.0055 . . . . 200 ILE N 26724 1 75 . 1 1 86 86 LYS N N 15 0.0893 0.0055 . . . . 202 LYS N 26724 1 76 . 1 1 87 87 SER N N 15 0.0943 0.0054 . . . . 203 SER N 26724 1 77 . 1 1 88 88 LEU N N 15 0.0847 0.0023 . . . . 204 LEU N 26724 1 78 . 1 1 89 89 GLN N N 15 0.0917 0.0071 . . . . 205 GLN N 26724 1 79 . 1 1 90 90 LYS N N 15 0.0758 0.0067 . . . . 206 LYS N 26724 1 80 . 1 1 91 91 ALA N N 15 0.0595 0.0023 . . . . 207 ALA N 26724 1 81 . 1 1 92 92 GLY N N 15 0.0599 0.0046 . . . . 208 GLY N 26724 1 82 . 1 1 93 93 ILE N N 15 0.0621 0.0025 . . . . 209 ILE N 26724 1 83 . 1 1 94 94 ARG N N 15 0.1013 0.0110 . . . . 210 ARG N 26724 1 84 . 1 1 95 95 VAL N N 15 0.0990 0.0031 . . . . 211 VAL N 26724 1 85 . 1 1 96 96 GLU N N 15 0.1081 0.0060 . . . . 212 GLU N 26724 1 86 . 1 1 97 97 LYS N N 15 0.1266 0.0091 . . . . 213 LYS N 26724 1 87 . 1 1 98 98 GLN N N 15 0.1147 0.0046 . . . . 214 GLN N 26724 1 88 . 1 1 99 99 SER N N 15 0.1560 0.0268 . . . . 215 SER N 26724 1 89 . 1 1 100 100 LEU N N 15 0.3876 0.0496 . . . . 216 LEU N 26724 1 90 . 1 1 102 102 PHE N N 15 0.3175 0.0335 . . . . 218 PHE N 26724 1 stop_ save_